Day: March 30, 2022

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 56413-95-7, is researched, SMILESS is N#CC1=NC(Cl)=C(Cl)N=C1C#N, Molecular C6Cl2N4Journal, Dyes and Pigments called Bulky 2,6-diphenylphenylsulfanyl substituents efficiently inhibit aggregation in phthalocyanines and tetrapyrazinoporphyrazines and control their photophysical and electrochemical properties, Author is Zimcik, Petr; Malkova, Anna; Hruba, Lenka; Miletin, Miroslav; Novakova, Veronika, the main research direction is magnesium zinc sulfanyl phthalocyanine tetrapyrazinoporphyrazine complex preparation redox potential; fluorescence magnesium zinc sulfanyl phthalocyanine tetrapyrazinoporphyrazine complex.Synthetic Route of C6Cl2N4.

Octasubstituted zinc, metal-free and magnesium complexes of phthalocyanine and tetrapyrazinoporphyrazine bearing very bulky 2,6-diphenylphenylsulfanyl substituents were synthesized. The substituents efficiently inhibited aggregation of the dyes and only monomers were detected even at a concentration of 200 μM solution in toluene. Photophys. data indicated influence of the heavy-atom effect – magnesium complexes were more fluorescent (ΦF 0.40-0.51) and zinc complexes produced stronger the singlet oxygen (ΦΔ 0.56-0.72) in both series of compounds The presence of addnl. nitrogens in tetrapyrazinoporphyrazine core made it substantially more electron deficient when compared with corresponding phthalocyanine analogs. 2,6-Diphenylphenylsulfanyl substituents also increased electron deficient character of the core and influenced the photophys. properties.

If you want to learn more about this compound(5,6-Dichloropyrazine-2,3-dicarbonitrile)Synthetic Route of C6Cl2N4, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Identification of two chromogens in the Elson-Morgan determination of hexosamines. A new synthesis of 3-methylpyrrole. Structure of the “”pyrrolenephthalides””》. Authors are Cornforth, J. W.; Firth, M. E..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Synthetic Route of C5H7N. Through the article, more information about this compound (cas:616-43-3) is conveyed.

The substance producing most of the color with Ehrlich’s reagent in the Elson-Morgan assay of hexosamines is shown to be 2-methylpyrrole (I); 3-acetyl-2-methylpyrrole (II) is also formed. A synthesis of 3-methylpyrrole (III) in 4 steps from CH2:CMeCH2Cl (IV) is described. Infrared spectra indicate that the condensation products of pyrroles with ο-C6H4(CO)2O (V) are benzo[f]pyrrocoline-5,10-diones; several of these are described. D-Glucosamine-HCl (VI) (21.6 g.) in 800 cc. H2O was added to an aqueous solution (2200 ml.) containing 106 g. Na2CO3, 19.6 g. Ac2CH2, and 200 ml. N HCl, the mixture at pH 9.75 in 2 portions heated on steam baths under reflux condensers, heating continued 20 min., the solutions cooled below 30°, combined, distilled at 20 mm., and the receiver cooled, until the distillate gave no color with Ehrlich’s reagent. The distillate (450 ml.) saturated with NaCl, extracted with Et2O, shaken once with 2N NaOH and H2O, the combined aqueous and alk. solutions reëxtd. with Et2O, the extracts evaporated at -10°/30-40 mm., the residue distilled at room temperature and 1 mm. gave 650 mg. I, b766 138-46°. I remained colorless in N at -5° but darkened in air. The infrared spectrum was identical with that of authentic I. The residual liquors after collection of the aqueous distillate combined, heated 45 min., then distilled, the pyrrole precipitated as the Hg complex, the solid suspended in N Na2CO3, and decomposed with H2S gave 40 mg. I. The aqueous reaction mixture from I extracted continuously 24 hrs. with Et2O, and the product distilled at 0.6-0.7 mm. gave a product which sublimed above 100°/0.05 mm., the sublimate suspended in 1:1 Et2O-ligroine, and the solid collected gave 130 mg. II, m. 94-5° (ligroine), ν 1620 cm.-1 in KCl, and 1660 cm.-1 in CCl4. Aminoacetal (3 g.) with 1 ml. H2O added dropwise in the cold to 18 g. HCl, after 5 hrs. at room temperature the solution neutralized to methyl orange, 1.39 g. Ac2CH2 added at once, the pH adjusted to 10, after 24 hrs. at 5° the mixture saturated with salt and extracted with Et2O, the Et2O concentrated, and the residue sublimed below 100°/0.5 mm. and crystallized gave II. II would not form a semicarbazone or 2,4-dinitrophenylhydrazone. Pyrrole-2-aldehyde (5 g.) refluxed 15 min. with 10 g. KOH, 7.5 ml. 90% N2H4.H2O, and 100 ml. O(CH2CH2OH)2, the mixture heated so that I slowly distilled (with some H2O, N2H4, and glycol) (after 4-5 hrs. the condensate was weakly Ehrlich pos.), a little H2O added to the distillate, the lower layer saturated with NaCl, and extracted with Et2O gave 3.65 g. I. 2-Acetylpyrrole (1.5 g.) similarly gave 0.81 g. 2-ethylpyrrole, b20 65°. VI (250 μg.) in 5 ml. H2O heated 25 min. in a stoppered flask immersed in a bath at 95-100° with 5 ml. of a solution of 1 ml. Ac2CH2 in 50 ml. 0.5N Na2CO3, two 1-ml. samples (O1,O2) were withdrawn, the remainder concentrated at 20 mm., the thawed distillate diluted with 8 ml. H2O and a 1-ml. portion (D) taken. The residue also diluted to 8 ml. with H2O and two 1-ml. samples (R1,R2) drawn. A solution (P) of 2.45 μg. I in H2O was prepared by suitable dilutions Samples O1, D, R1, and P were treated with 5 ml. alc., followed after mixing by 0.5 ml. Ehrlich reagent. Samples O2 and R2 received 0.5 ml. of 1:1 alc.-acid. The solutions were kept 1-2 hrs. at room temperature Solutions O2 and R2 showed no significant difference from B when examined at 530 and 540 mμ. Solutions O1, D, R1 and P were measured with O2 as control. The following results were obtained (λ in mμ, optical density of O1, D, R1, and P given): 500, 0.089, 0.051, 0.038, 0.144; 510, 0.120, 0.070, 0.050, 0.203; 520, 0.154, 0.098, 0.060, 0.269; 530, 0.179, 0.121, 0.056, 0.323; 535, 0.183, 0.132, 0.050, -; 540, 0.186, 0.139, 0.040, 0.375; 544, -, 0.141, -, 0.386; 545, 0.185, 0.141, 0.030, 0.386; 550, 0.176, 0.138, 0.025, 0.377; 560, 0.125, 0.100, 0.020, 0.287. Two solutions of II (200 μg. and 10 μg.) in H2O were treated with alc. and Ehrlich reagent. After 1 hr. the stronger solution was pale pink and after 1 week it had become deep purple and the weaker one was pale pink. HC(OEt)3 (90 ml.) and 35 g. Mg heated at 60°, 2 ml. IV added, followed by a little MeI, cooling being required to keep the temperature below 70°, 49.5 ml. more IV added at such a rate as to maintain a temperature of 60°, next day the flask cooled, saturated NH4Cl added dropwise until the mixture became solid, the cake collected, and the filtrate evaporated gave 45 g. 3-methyl-3-butenal diethyl acetal (VII), b18-19 58-60°, b745 162°, n21D 1.4155. VII (13.2 g.) in 20 ml. Et2O treated gradually with 85 ml. ethereal M perphthalic acid, allowed to warm, and kept below 30° by occasional cooling, the next day the phthalic acid removed, and the filtrate extracted with aqueous NaHCO3 gave 10.9 g. 3,4-epoxy-3-methylbutanal diethyl acetal (VIII), b17 83-4°. VIII (3 g.) and 20 ml. MeOHNH3 kept 24 hrs. at 37° and distilled gave 1.95 g. 4-amino-3-hydroxy-3-methylbutanal diethyl acetal (IX), b17 130°, purple color with Ehrlich reagent. Aqueous NH3, either at 100° for 3.5 hrs., or at room temperature 48 hrs. also opened the epoxide ring; the best yield of IX was 65%. IX (1.5 g.) distilled with a solution of 4.5 g. citric acid in 400 ml. H2O until the Ehrlich test became weak and III was isolated from the distillate as for I, giving 200 mg. III, b. 142-3°, darkened rapidly in the air. III (38%) was obtained by dissolving IX in H2O and 3 g. citric acid and distilling the whole in stream until 400 ml. distillate had collected; a Hg complex of III was formed when IV was kept 2 days at 40° with 450 mg. NH4OAc, 2.5 ml. 0.5N AcOH, and 900 mg. HgCl2 with occasional shaking. The following general procedure for preparing benzopyrrocolinediones was developed. The pyrrole (x g.) and 10x g. V mixed with 15x g. AcOH in a tube and when sealed heated 2 hrs. at 180-90°, the product refluxed with H2O, the black residue extracted with hot alc., the alc. filtrate taken to dryness, the residue treated with C6H6, filtered, and the filtrate after concentration chromatographed on Al2O3 gave the crystalline benzopyrrocolinedione. I (600 mg.) gave 98 mg. 3-methylbenzo[f]pyrrocoline-5,10-dione, needles, m. 173-4° (ligroine), ν 1708 and 1655 cm.-1. A mixture of 1- and 2-methylbenzo[f]pyrrocoline-5,10-diones (57 mg.) was obtained from 200 mg. III. Recrystallization from alc. gave 18 mg. of one isomer, m. 223°. The mother liquors and washings from the 1st recrystallization evaporated and the residue crystallized gave 13 mg. of the other isomer, m. 169-70°. Both isomerides showed ν 1708 and 1655 cm.-1 in KCl. 2-Ethylpyrrole (364 mg.) gave 43 mg. 1-ethylbenzo[f]pyrrocoline-5,10-dione, m. 114°, after sublimation in vacuo and crystallization from MeOH. Condensation of 2,4-dimethylpyrrylmagnesium bromide [from 6.4 g. 2,4-dimethylpyrrole (IXa)] and 5 g. V in Et2O gave a solid by filtration after decomposition of the mixture with ice and CO2; the aqueous filtrate extracted with Et2O and acidified and the precipitates combined and crystallized gave 7.2 g. 2-(ο-carboxybenzoyl)-3,5-dimethylpyrrole (X), m. 195-6.5° (decomposition) (MeOH-H2O). X on warming with Ehrlich reagent developed a cherry red color. X (100 mg.) refluxed 1.5 hrs. with 2 ml. H2O and 5 drops NH4OH gave 27.5 mg. 1,3-dimethylbenzo[f]pyrrocoline-5,10-dione (XI), m. 181-3° (alc.), ν 1705, 1650 cm.-1 KCl, λ 378, 318, 267, 237 mμ, log ε 3.67, 3.71, 4.28, and 4.42, resp. XI was also obtained on heating IXa and V by the standard procedure. XI (52.5 mg.) heated 1 hr. with 2 ml. 2N NaOH gave X.

If you want to learn more about this compound(3-Methyl-1H-pyrrole)Synthetic Route of C5H7N, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 56413-95-7, is researched, Molecular C6Cl2N4, about Synthesis and studies on photodynamic activity of new water-soluble azaphthalocyanines, the main research direction is photodynamic activity water soluble azaphthalocyanine derivative; photosensitized photooxidation phenylisobenzofurane azaphthalocyanine derivative singlet oxygen generation.Category: chiral-oxygen-ligands.

Aza analogs of phthalocyanines (AzaPc’s) bearing four long chains with carboxy groups at the end and four “”bulky”” diethylamino groups on periphery were synthesized and characterized. Their sodium salts are very soluble in water. The first studies on photodynamic activity of this tetrapyrazinoporphyrazines (a type of AzaPc) are presented. The dye-sensitized photooxidation of 1,3-diphenylisobenzofurane via 1O2 was studied in pyridine. Their photodynamic activity in vitro was not detected due to the aggregation behavior of these compounds in water.

If you want to learn more about this compound(5,6-Dichloropyrazine-2,3-dicarbonitrile)Category: chiral-oxygen-ligands, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Related Products of 56413-95-7. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Bulky 2,6-diphenylphenylsulfanyl substituents efficiently inhibit aggregation in phthalocyanines and tetrapyrazinoporphyrazines and control their photophysical and electrochemical properties. Author is Zimcik, Petr; Malkova, Anna; Hruba, Lenka; Miletin, Miroslav; Novakova, Veronika.

Octasubstituted zinc, metal-free and magnesium complexes of phthalocyanine and tetrapyrazinoporphyrazine bearing very bulky 2,6-diphenylphenylsulfanyl substituents were synthesized. The substituents efficiently inhibited aggregation of the dyes and only monomers were detected even at a concentration of 200 μM solution in toluene. Photophys. data indicated influence of the heavy-atom effect – magnesium complexes were more fluorescent (ΦF 0.40-0.51) and zinc complexes produced stronger the singlet oxygen (ΦΔ 0.56-0.72) in both series of compounds The presence of addnl. nitrogens in tetrapyrazinoporphyrazine core made it substantially more electron deficient when compared with corresponding phthalocyanine analogs. 2,6-Diphenylphenylsulfanyl substituents also increased electron deficient character of the core and influenced the photophys. properties.

If you want to learn more about this compound(5,6-Dichloropyrazine-2,3-dicarbonitrile)Related Products of 56413-95-7, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Recommanded Product: 56413-95-7. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Red-Emitting Fluorescence Sensors for Metal Cations: The Role of Counteranions and Sensing of SCN- in Biological Materials. Author is Lochman, Lukas; Machacek, Miloslav; Miletin, Miroslav; Uhlirova, Stepanka; Lang, Kamil; Kirakci, Kaplan; Zimcik, Petr; Novakova, Veronika.

The spatiotemporal sensing of specific cationic and anionic species is crucial for understanding the processes occurring in living systems. Herein, the authors developed new fluorescence sensors derived from tetrapyrazinoporphyrazines (TPyzPzs) with a recognition moiety that consists of an aza-crown and supporting substituents. Their sensitivity and selectivity were compared by fluorescence titration experiments with the properties of known TPyzPzs (with either one aza-crown moiety or two of these moieties in a tweezer arrangement). Method of standard addition was employed for analyte quantification in saliva. For K+ recognition, the new derivatives had comparable or larger association constants with larger fluorescence enhancement factors compared to that with one aza-crown. Their fluorescence quantum yields in the ON state were 18× higher than that of TPyzPzs with a tweezer arrangement. Importantly, the sensitivity toward cations was strongly dependent on counteranions and increased as follows: NO3- < Br- < CF3SO3- < ClO4- ≪ SCN-. This trend resembles the chaotropic ability expressed by the Hofmeister series. The high selectivity toward KSCN was explained by synergic association of both K+ and SCN- with TPyzPz sensors. The sensing of SCN- was further exploited in a proof of concept study to quantify SCN- levels in the saliva of a smoker and to demonstrate the sensing ability of TPyzPzs under in vitro conditions. If you want to learn more about this compound(5,6-Dichloropyrazine-2,3-dicarbonitrile)Recommanded Product: 56413-95-7, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Electrochemical properties and conductivity of poly(3-methylpyrrole/ClO4), published in 2005-06-14, which mentions a compound: 616-43-3, Name is 3-Methyl-1H-pyrrole, Molecular C5H7N, SDS of cas: 616-43-3.

Electrosynthesis of conducting poly(3-methylpyrrole) was carried out at fixed potentials of 0.5 and 0.6 V in a NaClO4 MeCN solution The electrochem. behavior of doped-polymer films was analyzed considering the influence of the neg. and pos. potential limits as well as the scan rate on the voltammograms recorded in MeCN. A mechanism for the redox processes is proposed. Polymer morphol. was examined by SEM, which reveals a cauliflower and compact texture depending on the potential of synthesis and deposition time. Kinetic of conductivity decay with aging time is dependent of exp(-t1/2) with a characteristic time of the degradation process around 20 days.

If you want to learn more about this compound(3-Methyl-1H-pyrrole)SDS of cas: 616-43-3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Steric and Electronic Effects in Methyl-Substituted 2,2′-Bipyrroles and Poly(2,2′-Bipyrrole)s: Part I. Synthesis and Characterization of Monomers and Polymers, published in 2000-05-31, which mentions a compound: 616-43-3, mainly applied to electrochem polymerization bipyrrole; methyl substituent polypyrrole elec property, Related Products of 616-43-3.

The effects of N- and C-Me substitution on the elec. and spectral properties of pyrrole, 2,2′-bipyrrole, and the corresponding polymers were investigated. A whole series of monomethyl and N- or Cβ-dimethyl-substituted 2,2′-bipyrroles was synthesized, and the electrochem. and spectral properties of all the compounds were investigated under identical testing conditions. The corresponding polymers were prepared by electrochem. anodic oxidation under comparable exptl. conditions and their spectroscopic and conductivity properties evaluated for comparison. The higher degree of efficiency in transmission of electronic effects associated with Me substitution at Cβ with respect to substitution at N was clearly demonstrated. The influence of the symmetry of the starting monomer (C2v or Cs) on the elec. properties of the resulting polymers is discussed.

If you want to learn more about this compound(3-Methyl-1H-pyrrole)Related Products of 616-43-3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Synthesis of mono-, di-, tri- and tetracarboxy azaphthalocyanines as potential dark quenchers. Author is Kopecky, Kamil; Satinsky, Dalibor; Novakova, Veronika; Miletin, Miroslav; Svoboda, Antonin; Zimcik, Petr.

Mono-, di-, tri- and tetracarboxy-substituted metal-free azaphthalocyanines (AzaPc) were synthesized from 5,6-bis(diethylamino)pyrazine-2,3-dicarbonitrile and 6-(5,6-dicyano-3-(diethylamino)pyrazin-2-ylamino)hexanoic acid using a statistical condensation approach. AzaPc bearing eight diethylamino peripheral substituents was also isolated from the mixture Anal. of the distribution of congeners in the statistical mixture using optimized HPLC method (Phenomenex Synergy RP Fusion column, acetonitrile/tetrahydrofuran/water (pH 5.5) 50:20:30) was performed. The anal. showed optimal ratios of starting materials to be 3:1 for AAAB, 1:3 for ABBB and 1:1 for AABB/ABAB types of the congeners. The distribution of the congeners corresponded well with calculated values indicating similar reactivity of both starting materials and no steric constraint between adjacent isoindole units in the AzaPc ring. All studied AzaPc showed no fluorescence, extremely low singlet oxygen quantum yields (Φ Δ < 0.005) in monomeric form and strong absorption in a wide range from 300 nm to almost 700 nm. Such properties are highly promising for future study of these compounds as dark quenchers of fluorescence in DNA hybridization probes. If you want to learn more about this compound(5,6-Dichloropyrazine-2,3-dicarbonitrile)Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

HPLC of Formula: 3685-23-2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Competing fragmentation processes of β-substituted propanoate ions upon collision induced dissociation. Author is Le Blanc, Luc M.; Powers, Sean W.; Grossert, J. Stuart; White, Robert L..

Rationale : When subjected to collisional activation, gas-phase carboxylate ions typically undergo decarboxylation. However, alternative fragmentation processes dominate when the carboxylate group is located within certain structural motifs. In this work, the fragmentation processes of β-substituted carboxylate ions are characterized to improve correlations between reactivity and structure. Methods : Mass spectra were collected using both ion trap and triple quadrupole mass spectrometers operating in the neg. ion mode; collision induced dissociation (CID) of ions was used to study the relationship between product ions and the structures of their precursor ions. Quantum mech. computations were performed on a full range of reaction geometries at the MP2/6-311++G(2d,p)//B3LYP/6-31++G(2d,p) level of theory. Results : For a series of β-substituted carboxylate ions, a product ion corresponding to the anion of the β-substituent was obtained upon CID. Detailed computations indicated that decarboxylative elimination and at least one other fragmentation mechanism had feasible energetics for the formation of substituent anions differing in their gas-phase basicities. Predicted energetics for anti- and synperiplanar alignments in the transition structures for decarboxylative elimination correlated with the positions of crossover points in breakdown curves acquired for conformationally constrained ions. Conclusions : The feasibility of more than one mechanism was established for the fragmentation of β-substituted propanoates. The contribution of each mechanistic pathway to the formation of the substituent anion was influenced by structural variations and conformational constraints, but mostly depended on the nature of the substituent.

If you want to learn more about this compound(cis-4-Aminocyclohexane carboxylic acid)HPLC of Formula: 3685-23-2, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3685-23-2).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Hydrogenation of pyridine and α-picoline over Raney nickel-aluminum catalyst, published in 1959, which mentions a compound: 616-43-3, Name is 3-Methyl-1H-pyrrole, Molecular C5H7N, Quality Control of 3-Methyl-1H-pyrrole.

Hydrogenation of pyridine at 200° in a flow system over Raney Ni-Al catalyst gave piperidine, its azeotropic mixture with H2O (b739 90-2°, n20D 1.4320, d20 0.9277), and 2-methylpyridine. At low feed rate there was also formed some 3-methylpyrrole, 10% 2-propylpiperidine, and possibly some N-cyclopentylpiperidine. Hydrogenation of 2-picoline gave 2-pipecoline and some 3-methylpyrrole.

If you want to learn more about this compound(3-Methyl-1H-pyrrole)Quality Control of 3-Methyl-1H-pyrrole, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate