Month: April 2022

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Thermal reactions of organic nitrogen compounds. III. 1-Isopropylpyrrole》. Authors are Jacobson, I. A. Jr.; Jensen, H. B..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Safety of 3-Methyl-1H-pyrrole. Through the article, more information about this compound (cas:616-43-3) is conveyed.

cf. CA 57, 9781i. 1-Isopropylpyrrole isomerized irreversibly to 2-isopropylpyrrole, which in turn isomerized reversibly to 3-isopropylpyrrole. The temperature range was 340-575°. The entropies and heats of activation were calculated for the isomerization reactions 1-alkylpyrrole → 2-alkylpyrrole ⇄ 3-alkylpyrrole at 500° for methyl-, butyl-, and isopropylpyrrole.

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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

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Pontif. Acad. Sci. Acta called Polarographic reducibility of pyrrole and pyrrole substitutes, Author is Bonino, G. B., which mentions a compound: 616-43-3, SMILESS is CC1=CNC=C1, Molecular C5H7N, Computed Properties of C5H7N.

cf. C.A. 38, 1230.6. 1-Methylpyrrole, 2-methylpyrrole, 1-allylpyrrole, 2,4-dimethylpyrrole, 2,5-dimethylpyrrole, 3-methylpyrrole, 4-ethylpyrrole, 2,3,5-trimethylpyrrole, 2,5-dimethylpyrrole, 3-ethylpyrrole, 2,4-dimethylpyrrole, and pure 2,3,4,5-tetramethylpyrrole (I) (the latter obtained by the action of K methylate on trimethylpyrrole) in 0.1 N LiCl solution in 80% EtOH were not reduced polarographically. I obtained by the Piloty and Hirsch method (cf. C.A. 7, 1365), containing tetramethylpyrazine (II) as an impurity, showed the same polarographic wave of reduction as II. The findings of Dezelic (Boll. intern. acad. croata sci. e belle arti, 1941) are not correct.

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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

Computed Properties of C7H13NO2. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Liquid-phase hydrogenation of some aromatic acids on ruthenium catalysts. Author is Ponomarev, A. A.; Ryzhenko, L. M.; Smirnova, N. S..

Using 10% RuO2 or Ru on activated the hydrogenation was carried out at 100-20° in H2O or in aqueous alk. solutions The following compounds gave 60-99% yields of the following products (starting compound and product given): p-H2NC6H4CO2H, p-aminohexa-hydrobenzoic acid (I); p-O2NC6H4CO2H, I; m-H2NC6H4CO2H, m-aminohexahydrobenzoic acid (II), m-O2NC6H4CO2H, II; m-NaOC6H4CO2Na, m-hydroxyhexahydrobenzoic acid; disodium 2-methylterephthalate, 2-methylhexahydroterephthalic acid.

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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

Electric Literature of C5H7N. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Scientific investigation of the paint and adhesive materials used in the Western Han dynasty polychromy terracotta army, Qingzhou, China. Author is Wei, Shuya; Ma, Qinglin; Schreiner, Manfred.

A royal tomb of early period of the Western Han dynasty (206 B.C-8 A.D) was excavated by archaeologists in Qingzhou County, Shandong Province in 2006. Over 2000 polychromy terracotta soldiers, horses, chariots, servants etc. were unearthed from the tomb. All the terracotta figures are one quarter or one sixth as large as the livings, most of them were painted with well designed patterns. In order to gain complete information about the materials and techniques used for the polychromy on the terracotta army, five samples from the painted areas were taken. In addition, one sample from the area to adhere one leg to the polychromy horse body was also obtained. The anal. techniques applied include XRF, FTIR, Py-GC/MS and GC/MS. Chinese purple, cinnabar, lead red and ochre were used as pigments, while animal glue was identified as binding medium and adhesive in the polychromy terracotta army in the Han Dynasty. The results definitely will provide new evidence about the materials and technologies used in Han Dynasty. Especially, the binding medium identified is different in comparison with Qin Shihuang’s terracotta army (259-210 BC).

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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

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 Crystalline salts of the ring-reduced tin(IV) dichloride hexadecachlorophthalocyanine and octachloro- and octacyanotetrapyrazinoporphyrazine macrocycles with strong electron-withdrawing ability, Author is Faraonov, Maxim A.; Romanenko, Nikita R.; Kuzmin, Alexey V.; Konarev, Dmitri V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N., the main research direction is tin dichloride hexadecachlorophthalocyanine octachlorotetrapyrazinoporphyrazine octacyanotetrapyrazinoporphyrazine fullerene cryptand macrocycle preparation; crystal mol structure tin hexadecachlorophthalocyanine octachlorotetrapyrazinoporphyrazine octacyanotetrapyrazinoporphyrazine metallomacrocycle.Related Products of 56413-95-7.

Substituted tin(IV) dichloride phthalocyanine and tetrapyrazinoporphyrazines with acceptor chloro- or cyano-substituents: SnIVCl2(PcCl16), SnIVCl2(TPyzPzCl8) and SnIVCl2{TPyzPz(CN)8}, where PcCl16 = hexadecachlorophthalocyanine; TPyzPz(CN)8 = octacyanotetrapyrazinoporphyrazine, TPyzPzCl8 = octachlorotetrapyrazinoporphyrazine were synthesized. The reduction of these metallomacrocycles by fullerene {cryptand(Na+)}(C•-60) salt (1, 3 and 4) or potassium graphite (KC8) in the presence of cryptand (2) yields crystalline anionic salts: {cryptand(Na+)}2[SnIVCl2(PcCl4-16)]2-·C6H4Cl2 (1), {cryptand(K+)}2[{SnII(PcCl4-16)}0.926{SnIVCl2(PcCl4-16)}0.074]2-·2C6H4Cl2 (2), {cryptand(Na+)}[SnIVCl2{TPyzPz(CN)•3-8}]•-·C6H4Cl2 (3) and {cryptand(Na+)}2[SnIVCl2(TPyzPzCl4-8)]2-·2C6H4Cl2 (4). Reduction of SnIVCl2(macrocycle2-) with dianion macrocycles is accompanied by the formation of radical trianion or tetraanion macrocycles in 1-4. As stronger reductant, KC8 reduces the macrocycle and in addition nearly complete metal centered reduction from tin(IV) to tin(II) took place. Strong blue shift of the Q-band and new absorption bands are observed in the NIR range in the spectra of 1-4. Partial disruption of macrocycle aromaticity and alternation of the C – Nmeso bonds were found for the reduced macrocycles. Macrocycles are planar, and SnIV atoms are positioned exactly in the macrocycle plane. The only exception is strong distortion of the PcCl16 macrocycle in SnII(PcCl4-16) (2). Structures of 1-4 contain layers from the macrocycles having the side-by-side contacts in 1, 2, 4 and separated by cationic layers. Salt 3 presents the first structure of the TPyzPz(CN)8 macrocycle with strongest acceptor properties among known porphyrins and porphyrazines. It was shown that tetraanion macrocycles are diamagnetic in 1, 2 and 4. The [SnIVCl2{TPyzPz(CN)8•3-}]•- radical anions are paramagnetic in 3 with effective magnetic moment of 1.64μB, and salt 3 shows moderate antiferromagnetic coupling of spins with Weiss temperature of -14 K.

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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

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, Polyhedron called Synthesis and characterization of copper complexes with the 2,3-dicyano-5,6-dimercaptopyrazine ligand: Magnetic properties of a ferrocenium salt, Author is Belo, D.; Figueira, M. J.; Santos, I. C.; Gama, V.; Pereira, L. C.; Henriques, R. T.; Almeida, M., the main research direction is copper mercaptopyrazine cyano complex preparation structure; crystal structure copper mercaptopyrazine cyano complex; antiferromagnetic interaction copper mercaptopyrazine cyano complex.COA of Formula: C6Cl2N4.

(Bu4N)2[Cu(dcdmp)2], Bu4N[Cu(dcdmp)2] and [FeCp*2]2[Cu(dcdmp)2] (H2dcdmp = 2,3-dicyano-5,6-dimercaptopyrazine; Cp* = decamethylferrocenium) were obtained and characterized. (Bu4N)2Cu(Hdcdmp)2 crystallizes in the triclinic system, space group P1̅, Z = 1, with a 9.9512(6), b 10.541(1), c 13.221(1) Å, α 69.756(9), β 88.112(6) and γ 79.658(7)°. Its crystal structure consists of layers of well isolated square planar Cu(dcdmp)22- anions alternating with layers of Bu4N+ cations along b + c, and the magnetic properties in the range 2-300 K are close to those of an ideal paramagnet with an effective magnetic moment of 1.7 μB/f.u. Bu4N[Cu(dcdmp)2] crystallizes in the monoclinic space group C2/c, Z = 8, with a 35.281(4), b 9.501(1), c 21.885(2) Å and β 109.842(9)°, being isostructural with the Au analog previously described. [Fe(Cp*)2]2[Cu(dcdmp)2] crystallizes in the monoclinic system, space group C2/c, Z = 4, with a 15.891(1), b 10.5133(7), c 30.264(3) Å and β 91.105(2)°. Its crystal structure consists of out-of-registry columns, parallel to b, of alternated dianions and side-by-side pairs of cations, …A2-(D+D+)A2-(D+D+). This compound behaves as a paramagnet with weak antiferromagnetic interactions and no ordering down to 1.7 K. The magnetic properties, due to both cation and anion S = 1/2 contributions, show a large anisotropy, ascribed essentially to the g-factor anisotropy of the Fe(Cp*)2cations.

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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

Formula: C6Cl2N4. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Syntheses and spectral properties of 2,3,7,8-tetracyano-5,10-dihydrodipyrazino[2,3-b:2′,3′-e]pyrazine. Author is Jaung, Jae-yun; Fukunishi, Koushi; Matsuoka, Masaru.

Base catalyzed intermol. cyclization of 2-amino-3-chloro-5,6-dicyanopyrazines I (R = H, Me, Ph, 4-BuC6H4, etc.) gave 5,10-disubstituted-2,3,7,8-tetracyano-5,10-dihydrodipyrazino[2,3-b:2′,3′ -e]pyrazines II. These compounds have rather small mol. size but have strong intramol. charge-transfer chromophoric system. They have strong fluorescence in solution and some have fluorescence even in the solid state which are very important to evaluate their electroluminescence property as an emitter for electroluminescence devices. The phys., structural, and electronic properties of these new 2,3,7,8-tetracyano-5,10-dihydrodipyrazino[2,3-b:2’3′-e]pyrazines were studied using UV-visible spectroscopy and the PPP MO calculation method.

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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 three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile(SMILESS: N#CC1=NC(Cl)=C(Cl)N=C1C#N,cas:56413-95-7) is researched.Application In Synthesis of 5,6-Dihydro-2H-pyran-2-one. The article 《Cationic azaphthalocyanines bearing aliphatic tertiary amino substituents-Synthesis, singlet oxygen production and spectroscopic studies》 in relation to this compound, is published in Journal of Photochemistry and Photobiology, A: Chemistry. Let’s take a look at the latest research on this compound (cas:56413-95-7).

New cationic zinc azaphthalocyanines (AzaPc) were prepared using a statistical method of synthesis starting from 5,6-bis(2-diethylaminoethylsulfanyl)pyrazine-2,3-dicarbonitrile (A) and 5,6-bis(tert-butylsulfanyl)pyrazine-2,3-dicarbonitrile (B). All the six possible AzaPc derivatives were detected on TLC but only five of them were finally isolated using column chromatog. on silica (excluding AAAB type). The adjacent (AABB) and opposite (ABAB) isomers were well separated Singlet oxygen quantum yields (ΦΔ) were measured using the DPBF decomposition method. Values of ΦΔ in anhydrous DMF drastically decrease with the number of amino groups from 0.66 for BBBB type to 0.04 for AAAA type. The same dependence was observed in anhydrous DMF for the corresponding hydrochlorides. When DMF/water 95:5 added with HCl was used, the ΦΔ values for amino AzaPc increased to approx. 0.66. This suggests that solvation of the amino and Cl- ions plays an important role in the separation of the AzaPc mols. although no changes were found in UV-vis spectra. At least eight cationic charges are necessary for complete monomerization of AzaPc in water. Fewer charges lead to significant decrease of the absorption in the area of the Q-band and to pronounced dimeric character of the absorption spectrum.

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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 preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ) is researched.Category: chiral-oxygen-ligands.Groves, J. K.; Anderson, Hugh J.; Nagy, H. published the article 《Pyrrole chemistry. XIII. New syntheses of 3-alkylpyrroles》 about this compound( cas:616-43-3 ) in Canadian Journal of Chemistry. Keywords: pyrrole alkyl preparation. Let’s learn more about this compound (cas:616-43-3).

3-n-Alkylpyrroles are prepared in good yield by a combined Wolff-Kishner reduction and hydrolysis and decarboxylation of 4-acyl-2-pyrrole-thiolcarboxylates. Me 4-isopropyl-2-pyrrolecarboxylate and 4-tert-butyl-2-pyrrolecarbonitrile are prepared by alkylation of Me 2-pyrrolecarboxylate and 2-pyrrolecarbonitrile, resp. Hydrolysis and decarboxylation of these disubstituted compounds afford the corresponding-3-alkylpyrroles. Mass spectral data for some 1-, 2-, and 3-alkylpyrroles are reported.

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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

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Novakova, Veronika; Reimerova, Petra; Svec, Jan; Suchan, Daniel; Miletin, Miroslav; Rhoda, Hannah M.; Nemykin, Victor N.; Zimcik, Petr researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Computed Properties of C6Cl2N4.They published the article 《Systematic investigation of phthalocyanines, naphthalocyanines, and their aza-analogues. Effect of the isosteric aza-replacement in the core》 about this compound( cas:56413-95-7 ) in Dalton Transactions. Keywords: zinc phthalocyanine naphthalocyanine complex preparation fluorescence DFT calculation electrochem. We’ll tell you more about this compound (cas:56413-95-7).

Zinc complexes of phthalocyanine, naphthalocyanine and their aza-analogs with alkylsulfanyl substituents were synthesized and characterized by UV-visible and MCD spectroscopy, and their redox properties were investigated using CV, DPV, and SWV approaches as well as spectroelectrochem. methods. Aggregation, photostability, singlet oxygen production, and fluorescence quantum yields of the target complexes were studied as a function of the stepwise substitution of the aromatic C-H fragments by nitrogen atoms. The electronic structure and vertical excitation energies of the target compounds were probed by DFT-PCM and TDDFT-PCM approaches. Introduction of addnl. nitrogens into the structure leads to a hypsochromic shift of the Q-band and makes the macrocycle strongly electron deficient and more photostable. The impact on the photophysics is limited. The relations between the type of macrocycle and the studied properties were defined.

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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