Tag: M.W:100-200

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 Lamotrigine: Design and synthesis of new multicomponent solid forms, published in 2019-03-01, which mentions a compound: 1452-77-3, mainly applied to lamotrigine multicomponent solid forms; Co-crystals and salts; Diflunisal; Lamotrigine; Pyridinecarboxamides; Stability assay; Xanthines, Synthetic Route of C6H6N2O.

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

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 Ruthenium(III) 2-(aminofluoreneazo)phenolate complexes: Synthesis, characterization, catalytic activity in amidation reaction and Fluorescence quenching studies. Author is Thirumal, Muniyappan; Venkattappan, Anbazhagan; Venkatachalam, Galmari.

Ru(III)2-(aminofluoreneazo)phenolate complexes [RuCl(PPh3)2(L1-5)] (1-5) (L = 2-(aminofluoreneazo)phenolate ligands) were synthesized. The characterization of the synthesized complexes was accomplished by elemental anal., spectroscopic (FTIR, UV-visible, Fluorescence and EPR) and ESI-MS techniques. The catalytic performance of one of the synthesized complexes 3 for the amidation of aldehyde in the presence of NaHCO3/NH2OH·HCl was evaluated. The fluorescence emission of [RuCl(PPh3)2(L2)] (2) and [RuCl(PPh3)2(L3) (3)] are effectively quenched by 1,4-benzoquinone and 1,4-naphthoquinone in MeCN medium.

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

Synthetic Route of 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 Metabotropic glutamate receptor 5 (mGlu5)-positive allosteric modulators differentially induce or potentiate desensitization of mGlu5 signaling in recombinant cells and neurons. Author is Hellyer, Shane D.; Albold, Sabine; Sengmany, Kathy; Singh, Junaid; Leach, Katie; Gregory, Karen J..

Allosteric modulators of metabotropic glutamate receptor 5 (mGlu5) are a promising therapeutic strategy for a number of neurol. disorders. Multiple mGlu5-pos. allosteric modulator (PAM) chemotypes have been discovered that act as either pure PAMs or as PAM-agonists in recombinant and native cells. While these compounds have been tested in paradigms of receptor activation, their effects on receptor regulatory processes are largely unknown. In this study, acute desensitization of mGlu5 mediated intracellular calcium mobilization by structurally diverse mGlu5 orthosteric and allosteric ligands was assessed in human embryonic kidney 293 cells and primary murine neuronal cultures from both striatum and cortex. We aimed to determine the intrinsic efficacy and modulatory capacity of diverse mGlu5 PAMs [(R)-5-((3-fluorophenyl)ethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)picolinamide (VU0424465), N-cyclobutyl-6-((3-fluorophenyl)ethynyl)picolinamide (VU0360172), 1-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-((4-fluorobenzyl)oxy)ethanone (DPFE), ((4-fluorophenyl) (2-(phenoxymethyl)-6,7-dihydrooxazolo[5,4-c]pyridin-5(4H)-yl)methanone) (VU0409551), 3-Cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide (CDPPB)] on receptor desensitization and whether cellular context influences receptor regulatory processes. Only VU0424465 and VU0409551 induced desensitization alone in human embryonic kidney 293-mGlu5 cells, while all PAMs enhanced (S)-3,5-dihydroxyphenylglycine (DHPG)-induced desensitization. All mGlu5 PAMs induced receptor desensitization alone and enhanced DHPG-induced desensitization in striatal neurons. VU0424465 and VU0360172 were the only PAMs that induced desensitization alone in cortical neurons. With the exception of (CDPPB), PAMs enhanced DHPG-induced desensitization in cortical neurons. Moreover, differential apparent affinities, efficacies, and cooperativities with DHPG were observed for VU0360172, VU0409551, and VU0424465 when comparing receptor activation and desensitization in a cell type-dependent manner. These data indicate that biased mGlu5 allosteric modulator pharmacol. extends to receptor regulatory processes in a tissue dependent manner, adding yet another layer of complexity to rational mGlu5 drug discovery.

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

Sun, Kai-Jin; Cai, Zhao-Sheng published the article 《Synthesis, characterization and crystal structure of 2-pyridinecarboxamide》. Keywords: pyridinecarboxamide preparation crystal mol structure.They researched the compound: Picolinamide( cas:1452-77-3 ).SDS of cas: 1452-77-3. 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.

The 2-pyridinecarboxamide was synthesized from 2-picoline through two-steps reaction. Initially, 2-picoline was converted into 2-cyanopyridine by ammoxidation in a stainless-steel fixed-bed reactor at 370°C with V2O5 loaded on TiO2 as catalyst. The 2-cyanopyridine was transformed into 2-pyridinecarboxamide through oxidation hydrolysis in basic solution using MnO2 as oxidant at 70°C. The crystal structure of 2-pyridinecarboxamide was investigated using X-ray diffraction and SHELX 2018/3 (sh) software and the result indicated that 2-pyridinecarboxamide crystallized in the monoclinic system, space group P21/n with a = 5.207(2), b = 7.097(3), c = 16.243(6) Å, V = 595.7 (4) Å3; Z = 4.

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

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Picolinamide(SMILESS: O=C(N)C1=NC=CC=C1,cas:1452-77-3) is researched.Category: tetrahydroisoquinoline. The article 《Synthesis of New Ruthenium-CAP Complexes and Use as Catalysts for Benzonitrile Hydration to Benzamide》 in relation to this compound, is published in European Journal of Inorganic Chemistry. Let’s take a look at the latest research on this compound (cas:1452-77-3).

The new bimetallic [Ru2(μ-Cl)3(CAP)6]Cl (1) and monometallic cis,cis,trans-[RuCl2(dmso-S)2(CAP)2] (2) complexes, bearing the water soluble cage-like phosphine CAP (1,4,7-triaza-9-phosphatricyclo[5.3.2.1]tridecane), were synthesized and characterized in solution by NMR spectroscopy and ESI-MS spectrometry. The complexes, endowed with high solubility and stability in water, were applied as catalysts for the proof-of-concept hydration of benzonitrile to benzamide in neat water at 100°C, achieving high conversions with only 1 mol % of catalyst, both in single runs and in catalyst recycling experiments

Although many compounds look similar to this compound(1452-77-3)Reference of Picolinamide, numerous studies have shown that this compound(SMILES:O=C(N)C1=NC=CC=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
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, Molecules called Dihydrofolate Reductase Inhibitors: The Pharmacophore as a Guide for Co-Crystal Screening, Author is Baptista, Joao A.; Rosado, Mario T. S.; Castro, Ricardo A. E.; Evora, Antonio O. L.; Maria, Teresa M. R.; Ramos Silva, Manuela; Canotilho, Joao; Eusebio, M. Ermelinda S., the main research direction is crystal screening dihydrofolate reductase inhibitor pharmacophore trimethoprim pyrimethamine pyridinecarboxamide; 2,4-diaminopyrimidine; caffeine; co-crystal screening; dihydrofolate reductase inhibitors; pharmacophore; pyridinecarboxamides; pyrimethamine; theophylline; trimethoprim.HPLC of Formula: 1452-77-3.

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

Formula: 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 Metal-free nitrogen -doped carbon nanosheets: a catalyst for the direct synthesis of imines under mild conditions. Author is Wang, Kaizhi; Jiang, Pengbo; Yang, Ming; Ma, Ping; Qin, Jiaheng; Huang, Xiaokang; Ma, Lei; Li, Rong.

Herein, a highly stable, porous, multifunctional and metal-free catalyst was developed, which exhibited significant catalytic performance in the oxidation of amines and transfer hydrogenation of nitriles under mild conditions; this could be attributed to the presence of numerous active sites and their outstanding BET surface area. The obtained results showed that most of the yields of imines exceeded 90%, and the cycling performance of the catalyst could be at least seven runs without any decay in the reaction activity, which could be comparable to those of metal catalysts. Subsequently, a kinetic study has demonstrated that the apparent activation energy for the direct synthesis of imines from amines is 67.39 kJ mol-1, which has been performed to testify that the catalytic performances are rational. Via catalyst characterizations and exptl. data, graphitic-N has been proven to be the active site of the catalyst. Hence, this study is beneficial to comprehend the mechanism of action of a metal-free N-doped carbon catalyst in the formation of imines.

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

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Picolinamide(SMILESS: O=C(N)C1=NC=CC=C1,cas:1452-77-3) is researched.Formula: C6H6N2O. The article 《Ruthenium(III) 2-(aminofluoreneazo)phenolate complexes: Synthesis, characterization, catalytic activity in amidation reaction and Fluorescence quenching studies》 in relation to this compound, is published in Journal of Organometallic Chemistry. Let’s take a look at the latest research on this compound (cas:1452-77-3).

Ru(III)2-(aminofluoreneazo)phenolate complexes [RuCl(PPh3)2(L1-5)] (1-5) (L = 2-(aminofluoreneazo)phenolate ligands) were synthesized. The characterization of the synthesized complexes was accomplished by elemental anal., spectroscopic (FTIR, UV-visible, Fluorescence and EPR) and ESI-MS techniques. The catalytic performance of one of the synthesized complexes 3 for the amidation of aldehyde in the presence of NaHCO3/NH2OH·HCl was evaluated. The fluorescence emission of [RuCl(PPh3)2(L2)] (2) and [RuCl(PPh3)2(L3) (3)] are effectively quenched by 1,4-benzoquinone and 1,4-naphthoquinone in MeCN medium.

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

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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Dipicolinamide functionalized titania for highly efficient sorption of tetra and hexavalent actinide.Electric Literature of C6H6N2O.

Dipicolinamide functionalized titania particles have been synthesized for efficient decontamination of uranyl and thorium ions from aqueous acidic waste solution Langmuir isotherm was found to be predominating with maximum sorption capacity of 125 mg/g for Th and 111 mg/g for U, resp. The sorption was found to follow pseudo 2nd order kinetics predominately, with rate constant 8.6E-04 mg g-1 min-1 for Th and 6.1E-04 mg g-1 min-1 for U, resp. Up to 200 kGy of gamma irradiation, not much deterioration in extraction performance of sorbent material was observed Three contacts of 0.1 M aqueous solutions of oxalic acid and sodium carbonate were found to be effective in quant. elution of Th4+ and UO2+2 from the loaded sorbent, resp. The sorption of U and Th on dipicolinamide functionalized titania was evidenced by SEM images, elemental mapping and the EDX. Theor. investigation revealed that, the solution phase free energy of sorption (ΔGsol) was higher for Th4+ (-114.1 kcal mol-1) compared to UO2+2 (-80.41 kcal mol-1).

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

Product Details of 1452-77-3. 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 Lewis acid promoted dehydration of amides to nitriles catalyzed by [PSiP]-pincer iron hydrides. Author is Chang, Guoliang; Li, Xiaoyan; Zhang, Peng; Yang, Wenjing; Li, Kai; Wang, Yajie; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter.

The dehydration of primary amides to their corresponding nitriles using four [PSiP]-pincer hydrido iron complexes [(2-Ph2PC6H4)2MeSiFe(H)(PMe3)2, (2-Ph2PC6H4)2HSiFe(H)(PMe3)2, (2-(iPr)2PC6H4)2HSiFe(H)(PMe3)2 and (2-(iPr)2PC6H4)2MeSiFe(H)(PMe3)2] as catalysts in the presence of (EtO)3SiH as dehydrating reagent was explored in the good to excellent yields. It was proved for the first time that Lewis acid could significantly promote this catalytic system under milder reaction conditions than other Lewis acid-promoted system, such as shorter reaction time or lower reaction temperature This was also the first example that dehydration of primary amides to nitriles RCN [R = 4-ClC6H4, 2-thienyl, Bn, etc.] was catalyzed by silyl hydrido iron complexes bearing [PSiP]-pincer ligands with Lewis acid as additive. This catalytic system had good tolerance for many substituents. Among the four iron hydrides (2-Ph2PC6H4)2MeSiFe(H)(PMe3)2 was the best catalyst. The effects of substituents of the [PSiP]-pincer ligands on the catalytic activity of the iron hydrides were discussed. A catalytic reaction mechanism was proposed. Complex (2-(iPr)2PC6H4)2MeSiFe(H)(PMe3)2 was a new iron complex and was fully characterized. The mol. structure of complex (2-(iPr)2PC6H4)2MeSiFe(H)(PMe3)2 was determined by single crystal X-ray diffraction.

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