Chiral oxygen ligands

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The protonation of pyrroles》. Authors are Chiang, Y.; Whipple, E. B..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).COA of Formula: C5H7N. Through the article, more information about this compound (cas:616-43-3) is conveyed.

Formation of stable α-protonated salts of pyrrole and methylpyrroles in aqueous H2SO4 is demonstrated by their proton magnetic resonance spectra. The observed rates of deuterium exchange in N-methylpyrrole require, however, that β-protonation of the base occur at the faster rate in concentrated H2SO4 solutions The basicity constant of pyrrole is redetermined as pKa = -3.8, considerably below the currently accepted value, and the variation of the ratio of protonated to unprotonated base with H2SO4 concentrations, while self-consistent within the methylpyrrole series, differs from previously defined class acidity functions. The basicity constants vary with Me substitution in a semi-empirically predictable manner.

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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

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals of cis-4-Aminocyclohexanecarboxylic Acid with Water and Oxalic Acid.Reference of cis-4-Aminocyclohexane carboxylic acid.

The current contribution aims to study the stability of commonly occurring motifs present in certain amino acid structures after introducing addnl. mols. to form multicomponent crystals. The crystal structures of the amino acid cis-4-aminocyclohexanecarboxylic acid hemihydrate I and dehydrate II forms and that of its oxalate salt cocrystd. with oxalic acid III, were studied employing a combination of techniques. Both single-crystal and powder x-ray diffraction were used to solve the structures, while temperature-control powder X-ray diffraction was used to follow the dehydration of I. Regardless of the added mols. that induce modifications of the intermol. interactions within the crystals, some recurring supramol. structures were identified: double head to tail dimers, graph symbol R22(16), and ribbons, graph symbol R22(16)R34(10). Stabilities of these supramol. motifs were studied using theor. modeling with DFT/B3LYP/6-31++G (d,p) and PM6-D2H calculations The theor. calculations reproduced the exptl. findings, confirming the extraordinary stability of these motifs. The mol. recognition of amino acid pairs to form double head to tail-dimers is undoubtedly the initial driving force for the crystal formation in all the three crystals studied.

Here is just a brief introduction to this compound(3685-23-2)Reference of cis-4-Aminocyclohexane carboxylic acid, more information about the compound(cis-4-Aminocyclohexane carboxylic acid) is in the article, you can click the link below.

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.Name: 3-Methyl-1H-pyrrole.Yuzhakova, O. A.; Kurkovskaya, L. N.; Shapet’ko, N. N.; Potapov, V. K.; Shatenshtein, A. I. published the article 《Delayed exchange of hydrogen in imine groups of pyrrole and indole》 about this compound( cas:616-43-3 ) in Teoreticheskaya i Eksperimental’naya Khimiya. Keywords: imine ethanol hydrogen exchange; pyrrole ethanol hydrogen exchange; indole ethanol hydrogen exchange; ionization potential indole pyrrole. Let’s learn more about this compound (cas:616-43-3).

The rate of H-D exchange between EtOD and pyrrole (I) or indole (II) in CCl4 was measured by NMR, and the rate constants were calculated from the 1st-order rate equation. The H exchange in NH groups of unsubstituted 5 membered heterocycles in the absence of an electron-donating solvent was slow. The photoionization potentials, Ip, of I, N-methylpyrrole (III), α-methylpyrrole (IV), and β-methylpyrrole were measured. The highest and the smallest Ip change was observed on passing from I to IV, and from I to III, resp. The probable structures of I complexes and I complexes with the alc. were suggested together with the causes of slow H exchange.

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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.Synthetic Route of C6Cl2N4. The article 《The synthesis and cyclotetramerisation reactions of aryloxy-, arylalkyloxy-substituted pyrazine-2,3-dicarbonitriles and spectroelectrochemical properties of octakis(hexyloxy)-pyrazinoporphyrazine》 in relation to this compound, is published in Dyes and Pigments. Let’s take a look at the latest research on this compound (cas:56413-95-7).

Novel, aryloxy- and arylalkyloxy-substituted pyrazine dicarbonitriles were synthesized from 5,6-dichloropyrazine-2,3-dicarbonitrile and the corresponding phenol/alc. derivatives Cyclotetramerisation of these pyrazine derivatives to form metal pyrazinoporphyrazines in the presence of appropriate metal salts in different solvents such as DMF, quinoline, 2-dimethylaminoethanol and n-hexanol, resulted in decomposition products with the exception of the latter solvent which lead to mainly octakis(alkyloxy)pyrazinoporphyrazines. Cyclic voltammetry and differential pulsed voltammetry of the complexes indicated that cobalt pyrazinoporphyrazine displayed both ligand and metal-based redox processes while zinc and copper derivatives exhibited only ligand-based redox processes. The redox processes of the pyrazinoporphyrazines shifted significantly towards pos. potentials compared to those of the common phthalocyanines. The novel compounds were characterized using elemental anal. and spectral techniques.

Here is just a brief introduction to this compound(56413-95-7)Quality Control of 5,6-Dichloropyrazine-2,3-dicarbonitrile, more information about the compound(5,6-Dichloropyrazine-2,3-dicarbonitrile) is in the article, you can click the link below.

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 Synthesis of pyrido[1′,2′:1,2]imidazo[4,5-b]pyrazines from 2-amino-3-chloro-5,6-dicyanopyrazine with substituted pyridines, published in 1986-12-31, which mentions a compound: 56413-95-7, Name is 5,6-Dichloropyrazine-2,3-dicarbonitrile, Molecular C6Cl2N4, Reference of 5,6-Dichloropyrazine-2,3-dicarbonitrile.

Novel synthesis of the title compounds by the cyclization between 2-amino-3-chloro-5,6-dicyanopyrazine (I) and various substituted pyridines is described. E.g., heating I with pyridines II (R = Me, Pr, Me3C, PhCH2, CONH2, CO2Me, Ph, 2-pyridyl) in DMF at 90° for 48 h gave 14-72% pyridoimidazopyrazines III.

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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

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 Thermal reactions of organic nitrogen compound. I. I-Methylpyrrole, published in 1958, which mentions a compound: 616-43-3, mainly applied to , Name: 3-Methyl-1H-pyrrole.

A flow method was used at 475-700°. At 475-575° the reaction was a homogeneous 1st-order isomerization, 1-methylpyrrole → 2-methylpyrrole → 3-methylpyrrole. The Arrhenius equation for this reaction, based on the disappearance of 1-methylpyrrole, is k = 2.39 × 1012e(-54,800/RT). Above 575° there was decomposition to give a complex mixture of reaction products.

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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 chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Improved preparation of 3-methylpyrrole. Laboratory note, the main research direction is PYRROLE METHYL.Application In Synthesis of 3-Methyl-1H-pyrrole.

An improved synthesis of 3-methylpyrrole (I) and the N.M.R. spectra of the intermediates and product are given. Thus, 20 g. 3-carbethoxy-4-methyl-2-pyrrolecarboxylic acid is refluxed 1 hr. with 300 ml. 40% KOH, cooled, acidified with dilute HCl, filtered, washed with water, and dried to give 70% 4-methylpyrrole-2,3-dicarboxylic acid (II), m. 225°. II (12 g.) is added to 1 g. powd. Cu and heated under 50 mm. to dist. 87% I.

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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

Application In Synthesis of 3-Methyl-1H-pyrrole. 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. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Transformation of Nitrogen and Evolution of N-Containing Species during Algae Pyrolysis.

Transformation and evolution mechanisms of nitrogen during algae pyrolysis were investigated in depth with exploration of N-containing products under variant temperature Results indicated nitrogen in algae is mainly in the form of protein-N (∼90%) with some inorganic-N. At 400-600 °C, protein-N in algae cracked first with algae pyrolysis and formed pyridinic-N, pyrrolic-N, and quaternary-N in char. The content of protein-N decreased significantly, while that of pyrrolic-N and quaternary-N increased gradually with temperature increasing. Pyridinic-N and pyrrolic-N formation was due to deamination or dehydrogenation of amino acids; subsequently, some pyridinic-N converted to quaternary-N. Increasing temperature decreased amides content greatly while increased that of nitriles and N-heterocyclic compounds (pyridines, pyrroles, and indoles) in bio-oil. Amides were formed through NH3 reacting with fatty acids, that underwent dehydration to form nitriles. Besides, NH3 and HCN yields increased gradually. NH3 resulted from ammonia-N, labile amino acids and amides decomposition, while HCN came from nitrile decomposition At 700-800 °C, evolution trend of N-containing products was similar to that at 400-600 °C. While N-heterocyclic compounds in bio-oil mainly came from pyrifinic-N, pyrrolic-N, and quaternary-N decomposition Moreover, cracking of pyridinic-N and pyrrolic-N produced HCN and NH3. A mechanism of nitrogen transformation during algae pyrolysis is proposed based on amino acids decomposition

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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

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: 616-43-3, is researched, Molecular C5H7N, about The synthesis of new 3-substituted pyrroles, the main research direction is silylpyrrole; pyrrole silyl; desilylation silylpyrrole.Category: chiral-oxygen-ligands.

The synthesis of 3-alkyl-, 3-(ω-bromoalkyl)-, 3-iodo-, 3-formyl-, 3-acetyl-1-(triisopropylsilyl)pyrrole, 2-[1-(triisopropylsilyl)-3-pyrrolyl]-2-propanol, 1-(triisopropylsilyl)-3-pyrrolecarboxylic acid, and 7-[1-(triisopropylsilyl)-3-pyrrolyl]heptanoic acid as well as the desilylation of these products to the corresponding 3-substituted pyrroles is described. Intermediates in these syntheses are 1-(triisopropylsilyl)pyrrole, 3-bromo-, and 3-litho-1-(triisopropylsilyl)pyrrole.

Here is just a brief introduction to this compound(616-43-3)Category: chiral-oxygen-ligands, more information about the compound(3-Methyl-1H-pyrrole) is in the article, you can click the link below.

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, Article, Research Support, Non-U.S. Gov’t, Journal of Organic Chemistry called Role of Steric Hindrance in the Newman-Kwart Rearrangement and in the Synthesis and Photophysical Properties of Arylsulfanyl Tetrapyrazinoporphyrazines, Author is Novakova, Veronika; Miletin, Miroslav; Filandrova, Tereza; Lenco, Juraj; Ruzicka, Ales; Zimcik, Petr, the main research direction is zinc phthalocyanine complex preparation fluorescence; crystal structure bisarylsulfanyl pyrazinedicarbonitrile.Computed Properties of C6Cl2N4.

Conditions for the Newman-Kwart rearrangement of phenols into thiophenols were studied in relation to the bulkiness of substituents at the 2 and 6 positions of the starting phenol derivative with an emphasis on eliminating side reactions. Thiophenols with different 2,6-disubstitution patterns (including hydrogen, Me, iso-Pr or tert-Bu groups) were used for the synthesis of 5,6-bis(arylsulfanyl)pyrazine-2,3-dicarbonitriles that underwent cyclotetramerization leading to the corresponding zinc tetrapyrazinoporphyrazines (TPyzPz), aza-analogs of phthalocyanines. Several methods for the cyclotetramerization were attempted to eliminate problematic side reactions. Magnesium butoxide is the most suitable cyclotetramerization agent and afforded TPyzPzs in reasonable yields of ∼30% under mild conditions. The varying arrangements of the peripheral substitutions resulting from the different bulkiness of the substituents were demonstrated by the x-ray structures of the pyrazine-2,3-dicarbonitriles. The prepared zinc arylsulfanyl TPyzPzs showed an absorption maximum at a Q-band over 650 nm, fluorescence quantum yields between 0.078 and 0.20, and singlet oxygen quantum yields ranging 0.58-0.69. TPyzPzs with iso-Pr groups are the best derivatives in this series as they combined facile cyclotetramerization, no aggregation, and good photophys. properties, which makes them potentially suitable for photodynamic therapy.

Here is just a brief introduction to this compound(56413-95-7)Computed Properties of C6Cl2N4, more information about the compound(5,6-Dichloropyrazine-2,3-dicarbonitrile) is in the article, you can click the link below.

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