Category: 1452-77-3

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 Cocrystals of hydrochlorothiazide with picolinamide, tetramethylpyrazine and piperazine: quantum mechanical studies, docking and modelling of the photovoltaic efficiency for DSSC. Author is Al-Otaibi, Jamelah S.; Almuqrin, Aljawhara H.; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith.

Abstract: Cocrystals are of immense applications in crystal engineering and pharmaceutical chem. Hydrochlorothiazide is found to form cocrystals with picolinamide (H1), tetramethylpyrazine (H2) and piperazine (H3). It was characterized using IR spectra, and quantum mech. calculations for geometry and other properties. Frontier orbital energies are used to predict the energy properties and model the possible charge transfer between the constituents of the cocrystal. The frontier MO anal. indicates chem. reactivity and bioactivity of the cocrystals. The MEP surface reveals the various reactive surfaces in the cocrystal system, which is very important in deciding various biol. activities. The UV-Vis spectra show the possible electronic transitions of the mols. Simulated electronic spectra using TDDFT method with CAM-B3LYP functional were used to investigate the suitability of the cocrystals to be used in DSSC. Moreover, the mol. docking anal. proves that the cocrystals can act as potential inhibitors and paves the way for developing effective drugs.

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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, Article, Nanoscale Research Letters called Synergistic Photocatalytic-Adsorption Removal of Basic Magenta Effect of AgZnO/Polyoxometalates Nanocomposites, Author is Tian, Heyun; Luo, Jie; Zhang, Ke; Ma, Chenguang; Qi, Yiyi; Zhan, Shixia; Liu, Xiao; Li, Mingxue; Liu, Hongling, which mentions a compound: 1452-77-3, SMILESS is O=C(N)C1=NC=CC=C1, Molecular C6H6N2O, Recommanded Product: 1452-77-3.

The bifunctional photocatalytic-adsorbent AgZnO/polyoxometalates (AgZnO/POMs) nanocomposites were synthesized by combining AgZnO hybrid nanoparticles and polyoxometalates [Cu(L)2(H2O)]H2[Cu(L)2(P2Mo5O23)]·4H2O (HL = C6H6N2O) into nanostructures via a sonochem. method. Transmission electron microscopy (TEM) indicated that AgZnO/POMs nanocomposites were uniform with narrow particle size distribution and without agglomeration. X-ray powder diffraction (XRD) and XPS anal. confirmed the nanostructure and composition of AgZnO/POMs nanocomposites. The UV-visible spectra (UV-Vis) and photoluminescence spectra (PL) confirmed excellent optical properties of the AgZnO/POMs nanocomposites. 94.13% ± 0.61 of basic magenta (BM) in aqueous solution could be removed using the AgZnO/POMs nanocomposites through adsorption and photocatalysis. The kinetic anal. showed that both the adsorption and photocatalysis process conform to pseudo-second-order kinetics. In addition, the removal rate of AgZnO/POMs nanocomposites was found to be almost unchanged after 5 cycles of use. The bifunctional photocatalytic-adsorbent AgZnO/POMs nanocomposites with high stability and cycling performance have broad application prospects in the treatment of refractory organic dye wastewater containing triphenylmethane.

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Tetrahydroisoquinoline – Wikipedia,
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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 Aerobic oxidation of primary benzylic amines to amides and nitriles catalyzed by ruthenium carbonyl clusters carrying N,O-bidentate ligands, published in 2020, which mentions a compound: 1452-77-3, mainly applied to trinuclear ruthenium carbonyl catalyst preparation; nitrile preparation; amide preparation; benzylic amine aerobic oxidation, Recommanded Product: 1452-77-3.

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,
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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 Spectroscopic and electrochemical recognition of H2PO-4 based on a ruthenium complex with 2-picolinamide, published in 2021-01-01, which mentions a compound: 1452-77-3, Name is Picolinamide, Molecular C6H6N2O, Product Details of 1452-77-3.

A ruthenium polypyridyl complex 4(PF6) with 2-picolinamide as an anionic NN̂ bidentate ligand is synthesized and characterized, including single-crystal X-ray anal. As an effective anion receptor in CH2Cl2, complex 4(PF6) shows selective spectroscopic and electrochem. recognition towards H2PO-4 over other anions tested (F-, Cl-, Br-, I-, HP2O3-7, HSO-4, AcO- and NO-3). Job’s plot and mass spectral analyses support that an adduct is formed between 4 and H2PO-4 with a 1:2 binding stoichiometry. The absorption spectral titration of 4(PF6) with H2PO-4 yields a global association constant in the order of 108 L2·mol-2 and an optical detection limit of 1.4 x 10-6 mol·L-1. In response to the presence of H2PO-4, the Ru(II/III) redox couple of 4(PF6) displays a “”two-wave behavior”” accompanied by a large neg. shift from +0.74 to +0.45 V vs Ag/AgCl. 1H NMR spectral titration analyses suggest that effective hydrogen-bonding interactions are present between 4 and H2PO-4, which are believed responsible for the observed spectroscopic and electrochem. response of 4(PF6) toward H2PO-4.

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Tetrahydroisoquinoline – Wikipedia,
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Category: tetrahydroisoquinoline. 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 Half-Sandwich Iridium Complexes for the One-Pot Synthesis of Amides: Preparation, Structure, and Diverse Catalytic Activity. Author is Fan, Xiao-Nan; Deng, Wei; Liu, Zhen-Jiang; Yao, Zi-Jian.

Several types of air-stable N,O-coordinate half-sandwich iridium complexes containing Schiff base ligands with the general formula [Cp*IrClL] were synthesized in good yields. These stable iridium complexes displayed a good catalytic efficiency in amide synthesis. A variety of amides with different substituents were obtained in a one-pot procedure with excellent yields and high selectivities through the amidation of aldehydes with NH2OH·HCl and nitrile hydration under the catalysis of complexes 1-4. The excellent and diverse catalytic activity, mild conditions, broad substance scope, and environmentally friendly solvent make this system potentially applicable in industrial production Half-sandwich iridium complexes 1-4 were characterized by NMR, elemental anal., and IR techniques. Mol. structures of complexes 2 and 3 were confirmed by single-crystal X-ray anal. Half-sandwich iridium complexes were synthesized, which exhibited a high catalytic activity for amide synthesis in a one-pot procedure with excellent yields and high selectivity through aldehyde amidation or nitrile hydration. The broad substrate scope, mild reaction conditions, and high yields of the products made this catalytic system attractive in the industrial process.

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Tetrahydroisoquinoline – Wikipedia,
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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Picolinamide( cas:1452-77-3 ) is researched.Computed Properties of C6H6N2O.Ren, Shishuai; Wang, Yangyang; Yang, Fei; Sun, Hongjian; Li, Xiaoyan published the article 《Dehydration of primary amides to nitriles catalyzed by [CNC]-pincer hydrido cobalt(III) complexes》 about this compound( cas:1452-77-3 ) in Catalysis Communications. Keywords: amide nitrile cobalt hydride catalyst dehydration selective safety; nitrile preparation. Let’s learn more about this compound (cas:1452-77-3).

The dehydration reactions from primary amides to nitriles were catalyzed by the [CNC]-pincer hydrido cobalt(III) complexes [(ortho-F4C6-CH=N-C10H6)Co(III)(H)(PMe3)2], [(2,5-F2C6H2-CH=N-C10H6)Co(III)(H)(PMe3)2] (I) and [(2,4,5-F3C6H-CH=N-C10H6)Co(III)(H)(PMe3)2] as catalysts with (EtO)3SiH as an efficient reducing agent. These hydrido cobalt(III) complexes as catalysts are suitable for many substrates and have good functional group tolerance. Among the three cobalt hydrides, complex I is the best catalyst. This is the first hydrido cobalt complex-catalyzed dehydration of primary amides to nitriles.

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

Reference of Picolinamide. 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 Direct Synthesis of Alternating Polycarbonates from CO2 and Diols by Using a Catalyst System of CeO2 and 2-Furonitrile. Author is Gu, Yu; Matsuda, Keitaro; Nakayama, Akira; Tamura, Masazumi; Nakagawa, Yoshinao; Tomishige, Keiichi.

The control technique of polymer mol. weight is required for the synthesis of versatile polymers with various properties. In our previous work, we found that CeO2 + 2-cyanopyridine catalyst system was effective for the direct synthesis of alternating polycarbonates from CO2 and diols, however, the maximum average mol. weight was ∼1000 g mol-1 (d.p. = 7-8). In this study, we succeeded in the synthesis of alternating polycarbonates with higher mol. weight from CO2 and diols by using a catalyst system of CeO2 + 2-furonitrile. The average mol. weight reached up to 5000 g mol-1 and could be controlled by adjusting the amount of diols and 2-furonitrile. Moreover, polycarbonate diols, polycarbonates without capping of OH groups at the ends, were obtained with the average mol. weight of ∼2000 g mol-1. The catalyst system was applicable to the direct polymerization of CO2 and various α,ω-diols, providing the corresponding alternating polymers. Comparison of CeO2 + 2-cyanopyridine and CeO2 + 2-furonitrile catalyst systems based on the kinetics and DFT calculations showed two main causes for the formation of polycarbonates with higher mol. weight in the CeO2 + 2-furonitrile catalyst system: First, the reactivity of 2-furamide, which was formed from 2-furonitrile, with produced polycarbonate diols was lower than that of 2-picolinamide, which was formed from 2-cyanopyridine, leading to decrease of formation of ester-capped polycarbonates. Second, the adsorption of 2-furonitrile on CeO2 was weaker than that of 2-cyanopyridine, leading to low steric hindrance at the active sites of CeO2 and enabling the reaction of longer diols, such as polycarbonate diols with CO2.

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

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.Tomishige, Keiichi; Tamura, Masazumi; Nakagawa, Yoshinao researched the compound: Picolinamide( cas:1452-77-3 ).Safety of Picolinamide.They published the article 《CO2 Conversion with Alcohols and Amines into Carbonates, Ureas, and Carbamates over CeO2 Catalyst in the Presence and Absence of 2-Cyanopyridine》 about this compound( cas:1452-77-3 ) in Chemical Record. Keywords: carbonate urea carbamate catalyst cyanopyridine cerium oxide; Carbamate; Carbon dioxide; Cerium oxide; Organic carbonate; Urea. We’ll tell you more about this compound (cas:1452-77-3).

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

Computed Properties of C6H6N2O. 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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Ionic liquid catalysed aerobic oxidative amidation and thioamidation of benzylic amines under neat conditions. Author is Joshi, Abhisek; Kumar, Rahul; Semwal, Rashmi; Rawat, Deepa; Adimurthy, Subbarayappa.

Tetrabutylammonium hydroxide (TBAOH) was discovered as a highly efficient and green catalyst for aerobic oxidation of the α-methylene carbon of primary amines as well as benzylic groups RCH2NH2 (R = Ph, pyren-1-yl, thiophene-2-yl, etc.) into the corresponding amides RC(O)NH2 and ketones R1C(O)C6H5 [R1 = Ph, pyridin-2-yl, C6H5C(O)] and 9H-fluoren-9-one under neat conditions. Ionic liquid TBAOH catalyzed aerobic oxidation of benzyl amines to benzamides and with elemental sulfur was described; and the corresponding benzylbenzothioamides RC(S)NHCH2R were obtained under metal-free, oxidant-free and base-free conditions. Applicability at the gram scale for the synthesis of the desired amides/ketones is also demonstrated with the present protocol.

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Tetrahydroisoquinoline – Wikipedia,
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Shirani, Mahboube; Akbari-adergani, Behrouz; Jazi, Masoud Boroumand; Akbari, Ali published an article about the compound: Picolinamide( cas:1452-77-3,SMILESS:O=C(N)C1=NC=CC=C1 ).Synthetic Route of C6H6N2O. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1452-77-3) through the article.

Ultrasound-assisted magnetic nanofluid-based liquid-phase microextraction was coupled to GC-MS in a method for simultaneous determination of the pyrethroid insecticides permethrin, deltamethrin, and cypermethrin. A highly efficient extraction solvent called “”magnetic nanofluid (MNF)”” is introduced for preconcentration of pyrethroids. The MNF consists of magnetic multiwalled carbon nanotubes (MMWCNTs) and deep eutectic solvent. Following microextraction, the MNF was detached by an external magnet from the medium without the need for centrifugation. 2-Pyridinecarboxamide, choline chloride, and anhydrous ferric chloride were used for the synthesis of the deep eutectic solvent. The effects of pH value, volume of MNF, sonication time, sample volume, and ionic strength, type and amount of back extraction solvent were investigated. Under optimum conditions of MNF volume of 50μL, time of 5 min, 100μL acetone as back extraction solvent, NaCl concentration of 1 mol.L-1 and sample volume of 30 mL, the detection limits are 2.8, 2.7 and 2.0 ng.mL-1 for permethrin, deltamethrin and cypermethrin, resp. The linear response ranges are between 0.01 and 250 ng.mL-1, and relative standard deviations (for n = 7) are 3.5, 3.2 and 2.8%. The method was successfully applied to the determination of trace levels of permethrin, deltamethrin and cypermethrin in (spiked) milk samples.

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