Category: 1452-77-3

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: 1452-77-3, is researched, Molecular C6H6N2O, about Lamotrigine: Design and synthesis of new multicomponent solid forms, the main research direction is lamotrigine multicomponent solid forms; Co-crystals and salts; Diflunisal; Lamotrigine; Pyridinecarboxamides; Stability assay; Xanthines.Recommanded Product: 1452-77-3.

In this work, a crystal engineering and thermodn. based approach has been used aiming at contributing to a deeper knowledge of lamotrigine multicomponent solid forms. Two types of co-mols. have been chosen that can give rise to co-crystals with lamotrigine through different supramol. heterosynthons: the xanthines, theophylline and caffeine, and the three isomeric pyridinecarboxamides. Association with diflunisal, which may result in a salt, was also investigated. Mechanochem., differential scanning calorimetry, thermogravimetry, X-ray powder and single crystal diffraction, IR spectroscopy were the methods used. For all the systems, exploratory neat mechanochem. experiments, carried out on lamotrigine + co-mol. binary mixtures of different compositions, were not successful in promoting association From differential scanning calorimetry data and the binary solid-liquid phase diagrams, co-crystals/salts were identified as well as their resp. stoichiometry, and a methodol. of synthesis was established. For pyridinecarboxamides, mol. recognition is dependent on the position of the amide group in the pyridine ring: co-crystallization did not occur with picolinamide co-former. Both xanthines form co-crystals with lamotrigine, (1:1) with theophylline and (2:1) lamotrigine:caffeine. Addnl., the crystalline structure of a lamotrigine:theophylline 1:1 monohydrate was solved. The (1:1) lamotrigine:theophylline co-crystal converts to this monohydrate in accelerated stability tests. A (1:1) lamotrigine:diflunisal salt was identified, which proved to be stable in accelerated stability assays.

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Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Reference of Picolinamide. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Half-sandwich ruthenium(II) complexes containing O, N bidentate azo ligands: Synthesis, structure and their catalytic activity towards one-pot conversion of aldehydes to primary amides and transfer hydrogenation of ketones. Author is Nandhini, Raja; Venkatachalam, Galmari.

Ruthenium(II) complexes of the general formula [Ru(η6-p-cymene)(Cl)(L1-5)] (L = O, N-donors of biphenylazo derivatives), were synthesized via reacting 2-(biphenylazo)phenols and 1-(biphenylazo)naphthol ligands with [{η6-(p-cymene)RuCl}2(μ-Cl)2]. The synthesized complexes could act as an efficient, reusable homogeneous catalyst for transformation of aldehydes to the corresponding primary amides ArC(O)NH2 [Ar = Ph, 4-MeC6H4, 2-pyridyl, etc.] in the presence of NH2OH·HCl, thus resulted an expansion of Beckmann rearrangement. They also effectively catalyzed the transfer hydrogenation reaction of various ketones with KOH in presence of 2-propanol to afford RCHOHR1 [R = Et, n-Pr, Ph, 4-MeOC6H4; R1 = Me, Ph; R1R2 = (CH2)5, (CH2)6].

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Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Yan, Xinlong; Dong, Qing; Li, Ying; Meng, Lizhen; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin published the article 《Aerobic oxidation of primary benzylic amines to amides and nitriles catalyzed by ruthenium carbonyl clusters carrying N,O-bidentate ligands》. Keywords: trinuclear ruthenium carbonyl catalyst preparation; nitrile preparation; amide preparation; benzylic amine aerobic oxidation.They researched the compound: Picolinamide( cas:1452-77-3 ).Name: Picolinamide. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:1452-77-3) here.

Four trinuclear ruthenium carbonyl clusters were synthesized from the reactions of Ru3(CO)12 with the corresponding N,O-bidentate ligands (two pyridyl alcs. and two Schiff bases) resp. in a ratio of 1 : 2. Three new complexes were fully characterized by elemental anal., FT-IR, NMR and X-ray crystallog. The catalytic activity of these ruthenium complexes for the aerobic oxidation of primary benzylic amines to amides and nitriles in the presence of t-BuOK was investigated.

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Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Computed Properties of C6H6N2O. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Aqueous-Phase Nitrile Hydration Catalyzed by an In Situ Generated Air-Stable Ruthenium Catalyst. Author is Ounkham, Whalmany L.; Weeden, Jason A.; Frost, Brian J..

RuCl2(PTA)4 (PTA=1,3,5-triaza-7-phosphaadamantane) is an active, recyclable, air-stable, aqueous-phase nitrile hydration catalyst. The development of an in situ generated aqueous-phase nitrile hydration catalyst (RuCl3·3 H2O + 6 equiv PTA) is reported. The activity of the in situ catalyst is comparable to RuCl2(PTA)4. The effects of [PTA] on the activity of the reaction were investigated: the catalytic activity, in general, increases as the pH goes up, which shows a pos. correlation with [PTA]. The pH effects were further explored for both the in situ and RuCl2(PTA)4 catalyzed reaction in phosphate buffer solutions with particular attention given to pH 6.8 buffer. Increased catalytic activity was observed at pH 6.8 vs. water for both systems with turnover frequency (TOF) up to 135 h-1 observed for RuCl2(PTA)4 and 64 h-1 for the in situ catalyst. Catalyst loading down to 0.001 mol % was examined with turnover numbers as high as 22 000 reported. Similar to the preformed catalyst, RuCl2(PTA)4, the in situ catalyst could be recycled more than five times without significant loss of activity from either water or pH 6.8 buffer.

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Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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, Journal of the Taiwan Institute of Chemical Engineers called Conceptual design, environmental, and economic evaluation of direct copolymerization process of carbon dioxide and 1,4-butanediol, Author is Yu, Yueh-Cheng; Wang, Ting-Ya; Chang, Li-Hsuan; Wu, Pei-Jhen; Yu, Bor-Yih; Yu, Wen-Yueh, which mentions a compound: 1452-77-3, SMILESS is O=C(N)C1=NC=CC=C1, Molecular C6H6N2O, Product Details of 1452-77-3.

The routes to convert CO2 into environmentally benign materials have attracted wide attentions. In this work, an emerging process to produce poly(butylene carbonate) (or PBC) from direct copolymerization of carbon dioxide and 1,4-butanediol is firstly simulated with analyses on the CO2 emission ratio (CO2-e, in kg-CO2/kg-PBC) and yearly unit manufacturing cost of product (YUMC, in USD/kg). In order to address the issues associated with large amount of solvents used in the lab scale, two proposed scenarios including the reduction of solvent amount, and heat integration by vapor recompression cycle (VRC) were simulated. It is found that CO2-e is reduced by 82.0% (from 30.06 to 5.42) when the solvent amount is reduced to 10%, and another 19.9% reduction in CO2-e (to 4.34) when applying the VRC. YUMCs are reduced by ca. 68% for both proposed scenarios (from 5.62 to ca. 1.8). The findings reported in this study may prove informative for developing CO2 conversion technologies from lab scale to industrial scale.

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Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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: 1452-77-3, is researched, SMILESS is O=C(N)C1=NC=CC=C1, Molecular C6H6N2OJournal, Article, Acta Crystallographica, Section E: Crystallographic Communications called Structure and NMR properties of the dinuclear complex di-μ-azido-κ4N1:N1-bis[(azido-κN)(pyridine-2-carboxamide-κ2N1,O)zinc(II)], Author is Pastor Ramirez, Candida; Bernes, Sylvain; Hernandez Anzaldo, Samuel; Reyes Ortega, Yasmi, the main research direction is dinuclear complex crystal structure chem shift; azido bridge; coordination compound; crystal structure; picolinamide; zinc.Safety of Picolinamide.

The new diamagnetic complex, [Zn2(N3)4(C6H6N2O)2] or [Zn2(pca)2(μ1,1-N3)2(N3)2] was synthesized using pyridine-2-carboxamide (pca) and azido ligands, and characterized using various techniques: IR spectroscopy and single-crystal X-ray diffraction in the solid state, and NMR (NMR) in solution The mol. is placed on an inversion center in space group P [inline formula omitted] . The pca ligand chelates the metal center via the pyridine N atom and the carbonyl O atom. One azido ligand bridges the two symmetry-related Zn2+ cations in the end-on coordination mode, while the other independent azido anion occupies the fifth coordination site, as a terminal ligand. The resulting five-coordinate Zn centers have a coordination geometry intermediate between trigonal bipyramidal and square pyramidal. The behavior of the title complex in DMSO solution suggests that it is a suitable NMR probe for similar or isostructural complexes including other transition-metal ions. The diamagnetic nature of the complex is reflected in similar 1H and 13C NMR chem. shifts for the free ligand pca as for the Zn complex.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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 Dihydrofolate Reductase Inhibitors: The Pharmacophore as a Guide for Co-Crystal Screening, published in 2021, which mentions a compound: 1452-77-3, Name is Picolinamide, Molecular C6H6N2O, Synthetic Route of C6H6N2O.

In this work, co-crystal screening was carried out for two important dihydrofolate reductase (DHFR) inhibitors, trimethoprim (TMP) and pyrimethamine (PMA), and for 2,4-diaminopyrimidine (DAP), which is the pharmacophore of these active pharmaceutical ingredients (API). The isomeric pyridinecarboxamides and two xanthines, theophylline (THEO) and caffeine (CAF), were used as co-formers in the same exptl. conditions, in order to evaluate the potential for the pharmacophore to be used as a guide in the screening process. In silico co-crystal screening was carried out using BIOVIA COSMOquick and exptl. screening was performed by mechanochem. and supported by (solid + liquid) binary phase diagrams, IR spectroscopy (FTIR) and X-ray powder diffraction (XRPD). The in silico prediction of low propensities for DAP, TMP and PMA to co-crystallize with pyridinecarboxamides was confirmed: a successful outcome was only observed for DAP + nicotinamide. Successful synthesis of multicomponent solid forms was achieved for all three target mols. with theophylline, with DAP co-crystals revealing a greater variety of stoichiometries. The crystalline structures of a (1:2) TMP:THEO co-crystal and of a (1:2:1) DAP:THEO:ethyl acetate solvate were solved. This work demonstrated the possible use of the pharmacophore of DHFR inhibitors as a guide for co-crystal screening, recognizing some similar trends in the outcome of association in the solid state and in the mol. aggregation in the co-crystals, characterized by the same supramol. synthons.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Application of 1452-77-3. 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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about CO2 Conversion with Alcohols and Amines into Carbonates, Ureas, and Carbamates over CeO2 Catalyst in the Presence and Absence of 2-Cyanopyridine. Author is Tomishige, Keiichi; Tamura, Masazumi; Nakagawa, Yoshinao.

Recent progress on the CeO2 catalyzed synthesis of organic carbonates, urea, and carbamates from CO2+alcs., CO2+amines, and CO2+alcs.+amines, resp., is reviewed. The reactions of CO2 with alcs. and amines are reversible ones and the degree of the equilibrium limitation of the synthesis reactions is strongly dependent on the properties of alcs. and amines as the substrates. When the equilibrium limitation of the reaction is serious, the equilibrium conversion of the substrate and the yield of the target product is very low, therefore, the shift of the equilibrium reaction to the product side by the removal of H2O is essential in order to get the target product in high yield. One of the effective method of the H2O removal from the related reaction systems is the combination with the hydration of 2-cyanopyridine to 2-picolinamide, which is also catalyzed by CeO2.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Formula: C6H6N2O. 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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Conceptual design, environmental, and economic evaluation of direct copolymerization process of carbon dioxide and 1,4-butanediol. Author is Yu, Yueh-Cheng; Wang, Ting-Ya; Chang, Li-Hsuan; Wu, Pei-Jhen; Yu, Bor-Yih; Yu, Wen-Yueh.

The routes to convert CO2 into environmentally benign materials have attracted wide attentions. In this work, an emerging process to produce poly(butylene carbonate) (or PBC) from direct copolymerization of carbon dioxide and 1,4-butanediol is firstly simulated with analyses on the CO2 emission ratio (CO2-e, in kg-CO2/kg-PBC) and yearly unit manufacturing cost of product (YUMC, in USD/kg). In order to address the issues associated with large amount of solvents used in the lab scale, two proposed scenarios including the reduction of solvent amount, and heat integration by vapor recompression cycle (VRC) were simulated. It is found that CO2-e is reduced by 82.0% (from 30.06 to 5.42) when the solvent amount is reduced to 10%, and another 19.9% reduction in CO2-e (to 4.34) when applying the VRC. YUMCs are reduced by ca. 68% for both proposed scenarios (from 5.62 to ca. 1.8). The findings reported in this study may prove informative for developing CO2 conversion technologies from lab scale to industrial scale.

In some applications, this compound(1452-77-3)Formula: C6H6N2O is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Synthetic Route of C6H6N2O. 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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Discovery of a Potent Picolinamide Antibacterial Active against Clostridioides difficile. Author is Speri, Enrico; Janardhanan, Jeshina; Masitas, Cesar; Schroeder, Valerie A.; Lastochkin, Elena; Wolter, William R.; Fisher, Jed F.; Mobashery, Shahriar; Chang, Mayland.

A major challenge for chemotherapy of bacterial infections is perturbation of the intestinal microbiota. Clostridioides difficile is a Gram-pos. bacterium of the gut that can thrive under this circumstance. Its production of dormant and antibiotic-impervious spores results in chronic disruption of normal gut flora and debilitating diarrhea and intestinal infection. C. difficile is responsible for 12,800 deaths per yr in the United States. Here, we report the discovery of 2-(4-(3-(trifluoromethoxy)phenoxy)picolinamido)benzo[d]oxazole-5-carboxylate as an antibacterial with potent and selective activity against C. difficile. Its MIC50 and MIC90 (the concentration required to inhibit the growth of 50% and 90% of all the tested strains, resp.) values, documented across 101 strains of C. difficile, are 0.12 and 0.25μg/mL, resp. The compound targets cell wall biosynthesis, as assessed by macromol. biosynthesis assays and by SEM. Animals infected with a LD of C. difficile and treated with compound 1 had a similar survival compared to treatment with vancomycin, which is the frontline antibiotic used for C. difficile infection.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem