Month: April 2022

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 cis-4-[[[(2-Chloroethyl)nitrosoamino]carbonyl]methylamino]cyclohexanecarboxylic acid, a nitrosourea with latent activity against an experimental solid tumor, published in 1984, which mentions a compound: 3685-23-2, mainly applied to cyclohexanecarboxylic acid nitrosoaminocarbonylamino; nitrosoaminocarbonylaminocyclohexanecarboxylate preparation antitumor; nitrosourea antitumor, HPLC of Formula: 3685-23-2.

The title compound (I) was synthesized in five steps from cis-4-aminocyclohexanecarboxylic acid via the N-tosylated intermediate II. I, which is incapable of the facile decomposition that characterizes the clin. useful nitrosoureas, effected a significant cure rate of both early and established murine Lewis lung carcinoma, even though its in vitro half-life was ∼5.5 times that of the unmethylated parent compound This is the first observation of latent activity of a nitrosourea against an exptl. solid tumor.

After consulting a lot of data, we found that this compound(3685-23-2)HPLC of Formula: 3685-23-2 can be used in many types of reactions. And in most cases, this compound has more advantages.

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: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ) is researched.Synthetic Route of C6Cl2N4.Novakova, Veronika; Miletin, Miroslav; Filandrova, Tereza; Lenco, Juraj; Ruzicka, Ales; Zimcik, Petr published the article 《Role of Steric Hindrance in the Newman-Kwart Rearrangement and in the Synthesis and Photophysical Properties of Arylsulfanyl Tetrapyrazinoporphyrazines》 about this compound( cas:56413-95-7 ) in Journal of Organic Chemistry. Keywords: zinc phthalocyanine complex preparation fluorescence; crystal structure bisarylsulfanyl pyrazinedicarbonitrile. Let’s learn more about this compound (cas:56413-95-7).

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.

After consulting a lot of data, we found that this compound(56413-95-7)Synthetic Route of C6Cl2N4 can be used in many types of reactions. And in most cases, this compound has more advantages.

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.HPLC of Formula: 616-43-3.Colle, Renato; Curioni, Alessandro published the article 《The transferability of the dynamic correlation energy in conjugated molecules》 about this compound( cas:616-43-3 ) in Chemical Physics Letters. Keywords: correlation energy transferability conjugated mol; pyrrole methane oligomer correlation energy. Let’s learn more about this compound (cas:616-43-3).

The dynamic correlation energy of the ground state of organic conjugated mols., calculated using the Colle-Salvetti functional, has been decomposed into fragment contributions obtained by integrating the functional inside sep. fragment volumes defined as proposed by Bader. It is shown that these contributions, properly renormalized, can be utilized for predicting in a satisfactory way the total correlation energy of oligomers obtained by condensation of pyrrole and methane mols.

After consulting a lot of data, we found that this compound(616-43-3)HPLC of Formula: 616-43-3 can be used in many types of reactions. And in most cases, this compound has more advantages.

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

Product Details of 616-43-3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. 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).

After consulting a lot of data, we found that this compound(616-43-3)Product Details of 616-43-3 can be used in many types of reactions. And in most cases, this compound has more advantages.

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: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Synthesis, separation and UV/Vis spectroscopy of pyrazino-quinoxalinoporphyrazine macrocycles, the main research direction is zinc pyrazino quinoxalino porphyrazine macrocycle complex preparation.Application of 56413-95-7.

Unsym. metal-free and zinc complexes of pyrazino/quinoxalino-porphyrazines (PQP) bearing eight diethylamino groups were synthesized by statistical tetramerization of 2,3-bis(diethylamino)quinoxaline-6,7-dicarbonitrile and 5,6-bis(diethylamino)pyrazine-2,3-dicarbonitrile in lithium butanolate. For this purpose, a new heteroatom-substituted quinoxaline precursor, 2,3-dichloroquinoxaline-6,7-dicarbonitrile, was prepared and characterized. It is a flexible starting material for new building blocks of quinoxaline-6,7-dicarbonitrile derivatives All the PQPs (including adjacent and opposite isomers) from the statistical mixture were detected and separated by column chromatog. on silica and characterized by MALDI-TOF mass spectrometry, IR, UV/visible and NMR spectroscopy. The effect of the insertion of benzene rings into the tetrapyrazinoporphyrazine (TPP) system is discussed. Each benzene ring insertion into the TPP system causes a bathochromic shift of 22 nm; the dependence is linear. The final tetra[6,7]quinoxalinoporphyrazines were red shifted to 744 and 763 nm for the zinc and metal-free derivative, resp. Splitting of the Q-band was observed for PQPs with lower symmetry.

After consulting a lot of data, we found that this compound(56413-95-7)Application of 56413-95-7 can be used in many types of reactions. And in most cases, this compound has more advantages.

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.Kopecky, Kamil; Zimcik, Petr; Novakova, Veronika; Miletin, Miroslav; Musil, Zbynek; Stribna, Jana researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Quality Control of 5,6-Dichloropyrazine-2,3-dicarbonitrile.They published the article 《The synthesis and characterization of metal-free, unsymmetrical azaphthalocyanines with hydroxy groups and their complex formation with pyridine》 about this compound( cas:56413-95-7 ) in Dyes and Pigments. Keywords: azaphthalocyanine pyridine complex preparation dye. We’ll tell you more about this compound (cas:56413-95-7).

Three, unsym. metal-free azaphthalocyanines (AzaPc) were prepared using the statistical condensation of 5,6-bis(diethylamino)-pyrazine-2,3-dicarbonitrile (A) and the pyrazinedicarbonitrile (B) substituted with alkylamine chains bearing one or two hydroxy groups. The desired AAAB type, metal-free compounds were isolated, purified and characterized; the compounds contain one or two hydroxy groups that can be modified with suitable ligands. The mechanism leading to the unusual formation of a new morpholine ring during the preparation of some pyrazinedicarbonitriles is explained. Metal-free AzaPcs form a proton-transfer complex with two mols. of pyridine, this complex formation being accompanied by a change of solution color from purple to blue. The complex is formed directly with two mols. of pyridine, one on either side of the macrocycle. The rate constants of this process were found to be of the order ∼10-4 s-1; the rate of complex formation was not the same for all compounds and may depend on the AzaPc structure. The influence of hydroxy groups on the rate constant was not confirmed.

After consulting a lot of data, we found that this compound(56413-95-7)Quality Control of 5,6-Dichloropyrazine-2,3-dicarbonitrile can be used in many types of reactions. And in most cases, this compound has more advantages.

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: cis-4-Aminocyclohexane carboxylic acid(SMILESS: N[C@H]1CC[C@H](CC1)C(O)=O,cas:3685-23-2) is researched.HPLC of Formula: 56413-95-7. The article 《Synthesis and properties of 2-azabicyclo[2:2:2]octan-3-one and 6-azabicyclo[3:2:1]octan-7-one》 in relation to this compound, is published in Rigas Tehniskas Universitates Zinatniskie Raksti, Serija 1: Materialzinatne un Lietiska Kimija. Let’s take a look at the latest research on this compound (cas:3685-23-2).

Optimal reaction conditions for the synthesis of lactams of cis-3- and -4-ACH acids and their derivatives were determined 1H NMR spectral data confirmed different configuration of lactams of cis-3- and cis-4-derivatives Possibility to apply lactams for the separation of cis- and trans-isomers was investigated.

After consulting a lot of data, we found that this compound(3685-23-2)Application In Synthesis of cis-4-Aminocyclohexane carboxylic acid can be used in many types of reactions. And in most cases, this compound has more advantages.

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; Miletin, Miroslav; Filandrova, Tereza; Lenco, Juraj; Ruzicka, Ales; Zimcik, Petr researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).HPLC of Formula: 56413-95-7.They published the article 《Role of Steric Hindrance in the Newman-Kwart Rearrangement and in the Synthesis and Photophysical Properties of Arylsulfanyl Tetrapyrazinoporphyrazines》 about this compound( cas:56413-95-7 ) in Journal of Organic Chemistry. Keywords: zinc phthalocyanine complex preparation fluorescence; crystal structure bisarylsulfanyl pyrazinedicarbonitrile. We’ll tell you more about this compound (cas:56413-95-7).

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.

After consulting a lot of data, we found that this compound(56413-95-7)HPLC of Formula: 56413-95-7 can be used in many types of reactions. And in most cases, this compound has more advantages.

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, Soil Science Society of America Journal called Nonhydrolyzable organic nitrogen in soil size separates from long-term agricultural experiments, Author is Leinweber, P.; Schulten, H.-R., which mentions a compound: 616-43-3, SMILESS is CC1=CNC=C1, Molecular C5H7N, Synthetic Route of C5H7N.

Total N (Nt), hydrolyzed N, NH3-N, and nonhydrolyzed N were determined in soil particle-size separates from unfertilized or manured treatments in five long-term (15-108 yr) experiments in Germany. The concentrations of all N fractions (i) increased with decreases in particle size and (ii) were higher in samples from manured treatments. Irresp. of particle size and soil management, nonhydrolyzed N accounted for 7 to 31% of Nt (mean: 19%). On average, 53% of nonhydrolyzed N could be volatilized by pyrolysis. Field-ionization mass spectra of the pyrolyzates of two hydrolysis residues showed that N heterocycles are major constituents of nonhydrolyzed N. In addition, 28 to 34% of total ionintensity was assigned to low-mass N compounds and aliphatic nitriles and amides. Shifts to higher volatilization temperatures with maxima at 450 to 520° in the thermograms of all N compounds indicated that chems. stability, or strong bonds to soil minerals, are main reasons for the resistance of these mols. to acid hydrolysis. Curie-point pyrolysis-gas chromatog./mass spectrometry using a N-selective detector and library searches enabled the identification of aliphatic, carbocyclic, and aromatic amines and nitriles, benzothiazole, substituted imidazoles, substituted pyrroles and pyrrolidine, substituted pyrazoles, and isoquinoline derivative, substituted pyrazines and piperazine, pyridine, and methylpyridine. In addition, low-mass N compounds such as hydrocyanic acid, N2, nitrogen monoxide, isocyanomethane, and hydrazoic acid were assigned so that, in total, 37 compounds were identified in the pyrolyzates of nonhydrolyzed N. Within this fraction, the authors distinguished (i) proteinaceous materials, nonhydrolyzable probably due to binding or occlusion by pedogenic oxides, and (ii) highly alkyl-substituted N heterocycles, which are structural constituents of stable humic substances.

After consulting a lot of data, we found that this compound(616-43-3)Synthetic Route of C5H7N can be used in many types of reactions. And in most cases, this compound has more advantages.

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

Quality Control of 3-Methyl-1H-pyrrole. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about A Model Binding Site for Testing Scoring Functions in Molecular Docking. Author is Wei, Binqing Q.; Baase, Walter A.; Weaver, Larry H.; Matthews, Brian W.; Shoichet, Brian K..

Prediction of interaction energies between ligands and their receptors remains a major challenge for structure-based inhibitor discovery. Much effort has been devoted to developing scoring schemes that can successfully rank the affinities of a diverse set of possible ligands to a binding site for which the structure is known. To test these scoring functions, well-characterized exptl. systems can be very useful. Here, mutation-created binding sites in T4 lysozyme were used to investigate how the quality of at. charges and solvation energies affects mol. docking. At. charges and solvation energies were calculated for 172,118 mols. in the Available Chems. Directory using a semi-empirical quantum mech. approach by the program AMSOL. The database was first screened against the apolar cavity site created by the mutation Leu99Ala (L99A). Compared to the electronegativity-based charges that are widely used, the new charges and desolvation energies improved ranking of known apolar ligands, and better distinguished them from more polar isosteres that are not observed to bind. To investigate whether the new charges had predictive value, the non-polar residue Met102, which forms part of the binding site, was changed to the polar residue glutamine. The structure of the resulting Leu99 Ala and Met102 Gln double mutant of T4 lysozyme (L99A/M102Q) was determined and the docking calculation was repeated for the new site. Seven representative polar mols. that preferentially docked to the polar vs. the apolar binding site were tested exptl. All seven bind to the polar cavity (L99A/M102Q) but do not detectably bind to the apolar cavity (L99A). Five ligand-bound structures of L99A/M102Q were determined by X-ray crystallog. Docking predictions corresponded to the crystallog. results to within 0.4 A RMSD. Improved treatment of partial at. charges and desolvation energies in database docking appears feasible and leads to better distinction of true ligands. Simple model binding sites, such as L99A and its more polar variants, may find broad use in the development and testing of docking algorithms.

After consulting a lot of data, we found that this compound(616-43-3)Quality Control of 3-Methyl-1H-pyrrole can be used in many types of reactions. And in most cases, this compound has more advantages.

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