Machine Learning in Chemistry about 3326-71-4

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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, Research Support, Non-U.S. Gov’t, Organic Letters called Direct Catalytic Symmetrical, Unsymmetrical N,N-Dialkylation and Cyclization of Acylhydrazides Using Alcohols, Author is Thiyagarajan, Subramanian; Gunanathan, Chidambaram, which mentions a compound: 3326-71-4, SMILESS is O=C(C1=CC=CO1)NN, Molecular C5H6N2O2, Reference of 2-Furoic hydrazide.

Herein, direct N,N-dialkylation of acylhydrazides using alcs. is reported. This catalytic protocol provides one-pot synthesis of both sym. and unsym. N,N-disubstituted acylhydrazides using an assortment of primary and secondary alcs. with remarkable selectivity and excellent yields. Interestingly, the use of diols resulted in intermol. cyclization of acylhydrazides, and such products are privileged structures in biol. active compounds Water is the only byproduct, which makes this catalytic protocol sustainable and environmentally benign.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Extended knowledge of 3326-71-4

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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, European Journal of Organic Chemistry called Electrochemical Synthesis of 2,5-Disubstituted 1,3,4-Oxadiazoles from α-Keto Acids and Acylhydrazines Under Mild Conditions, Author is Lu, Fangling; Gong, Fengping; Li, Liangsen; Zhang, Kan; Li, Zhen; Zhang, Xinwei; Yin, Ying; Wang, Ying; Gao, Ziwei; Zhang, Heng; Lei, Aiwen, which mentions a compound: 3326-71-4, SMILESS is O=C(C1=CC=CO1)NN, Molecular C5H6N2O2, Formula: C5H6N2O2.

1,3,4-Oxadiazoles are a kind of useful heterocycles which can be frequently found in materials and bioactive mols. In this study, intermol. electrochem. cyclization between α-keto acids and acylhydrazines has been developed for the synthesis of 2,5-disubstituted 1,3,4-oxadiazoles with the yield up to 91% [e.g., benzohydrazide + 2-oxo-2-phenylacetic acid → 2,5-diphenyl-1,3,4-oxadiazole (90%)]. This transformation can be run under mild reaction conditions in the absence of external oxidant, base and transition metal catalyst. Both sym. and unsym. 2,5-disubstituted 1,3,4-oxadiazoles could be prepared according to the careful choice of the substrate combination. Gram scale synthesis also illustrates the potential application of this protocol in large preparation

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

The effect of the change of synthetic route on the product 610-09-3

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Related Products of 610-09-3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: cis-Cyclohexane-1,2-dicarboxylic acid, is researched, Molecular C8H12O4, CAS is 610-09-3, about Reductive metabolism and its role in the disposition of the hydroxamic angiotensin-converting enzyme inhibitor idrapril calcium in rat. Author is Lippi, A.; Criscuoli, M.; Canali, S.; Subissi, A..

The metabolism of 14C-idrapril calcium, the prototype of a new class of angiotensin-converting enzyme inhibitors, was studied in rat after a single i.v. administration. Plasma, urine, feces, and bile were assayed for total and HPLC-fractionated radioactivity. Only one major metabolite (M1, 2-sarcosinamide-cis-1,2-cyclohexanedicarboxylamide) was observed, along with idrapril, in plasma. Three metabolites (M1, M2, cis-1,2-cyclohexanedicarboxylic acid, and M3, and glucuronate derivative of M1) were present in 0-8-h urine, unchanged idrapril being the most abundant product. In bile, two metabolites (M1, M3), but not the parent compound, were found. In conclusion i.v. idrapril undergoes hepatic reduction to M1 and hydrolysis to M2. M1 can be glucuronated to M3 and both are partially excreted in the bile and further processed in the gut to reabsorbable radioactive species.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

The effect of the change of synthetic route on the product 610-09-3

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The kinetics of the acid-catalyzed hydrolysis of the methyl esters of cyclohexanedicarboxylic acids》. Authors are Smith, Hilton A.; Scrogham, Kenneth G.; Stump, Billy L..The article about the compound:cis-Cyclohexane-1,2-dicarboxylic acidcas:610-09-3,SMILESS:O=C([C@H]1[C@@H](C(O)=O)CCCC1)O).COA of Formula: C8H12O4. Through the article, more information about this compound (cas:610-09-3) is conveyed.

Isomeric cyclohexane dicarboxylic acids (I) were made by reduction of phthalic acids: cis-1,2 (II), m. 194°; trans-1,2 (III), m. 227.5-9.4°; cis-1,3 (IV), m. 167.2-8.2°; cis-1,4 (V), m. 170-2°; and trans-1,4 (VI), m. 312-13°. Di-Me esters made by acid-catalyzed esterification with MeOH were: II, b12 124.4°; III, m. 30.2-30.8°; V, b10 131°; and VI, m. 69°. IV di-Me ester, b10 130.6°, was made from the Ag salt and MeI, whereas trans-1,3-di-Me ester (VII), b20 140°, was made from H and 1,3-C6H4(CO2Me)2 with Adams Pt catalyst. Mono-Me derivative of II, m. 68.5-9.0°, was made similarly from 2-HO2CC6H4CO2Me and H. Mono-Me derivative of III, m. 94.5-95°, was made from the acid and MeOH. Mono-Me derivative of IV, m. 66.2-7.0°, was made from the acid chloride and MeOH. By treatment of the di-Me esters with 1 equivalent KOH, mono-Me derivative of V, m. 106.6-8.6°, mono-Me derivative of VI, m. 125.6-6.8°, and mono-Me derivative of trans-1,3-I were prepared Acid-catalyzed rate constants for these esters were determined at 25°, 35°, 45°, and 55° and the heats of activation calculated Me and di-Me esters of II and III hydrolyzed most slowly, those of IV and VI most rapidly, and those of V and VII at an intermediate rate.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Sources of common compounds: 3326-71-4

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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: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Solid-phase synthesis of hybrid 2,5-diketopiperazines using acylhydrazide, carbazate, semicarbazide, amino acid, and primary amine submonomers.Application of 3326-71-4.

46We report the solid-phase synthesis of N,N’-di(acylamino)-2,5-diketopiperazine, an acylhydrazide-based conformationally rigid 2,5-DKP scaffold having exocyclic N-N bonds. We also show that different combinations of acylhydrazides, carbazates, semicarbazides, amino acids, and primary amines can be used to synthesize a highly diverse collection of hybrid DKP mols. via the solid-phase submonomer synthesis route. Finally, we show incorporation of a Me substituent in one of the carbon atoms of the DKP ring to generate chiral daa- and hybrid-DKPs without compromising the synthetic efficiency.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Share an extended knowledge of a compound : 610-09-3

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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, Z. physik. Chem. called The heats of hydration and energy contents of cis- and trans-cyclohexane-1,2-dicarboxylic acids, and their primary ions, Author is Wassermann, Albert, which mentions a compound: 610-09-3, SMILESS is O=C([C@H]1[C@@H](C(O)=O)CCCC1)O, Molecular C8H12O4, Synthetic Route of C8H12O4.

The following values were obtained for the cis- and trans-cyclohexane-1,2-dicarboxylic acids and their ions, resp.: heat of combustion, kg.-cal./mole (constant temperature) 931.9, 929.5; heat of solution + first heat of ionization, -7.49, -6.48; energy content of primary anion in dilute solution, kg.-cal./mole 939.4, 936.0; mol. volume at 0° 126.5, 120.4; second heat of ionization +0.30, +0.24. The first ionization constant of the cis acid increases with rise in temperature, while that of the trans decreases. This leads to the conclusion that the trans ion is more hydrated than the cis ion, although the heat of hydration of the undissociated cis is not measurably greater than that of the trans acid.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Discover the magic of the 37443-42-8

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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: 37443-42-8, is researched, Molecular C6H10O3, about Structural effects on rates and equilibriums. XVI. Effect of adjacent unshared electron pairs on ease of carbanion formation, the main research direction is carbanion formation structure effect.Quality Control of Methyl tetrahydrofuran-2-carboxylate.

The kinetics of NaOMe catalyzed D exchange of Me cyclopentanecarboxylate, two of its oxa derivatives and their acyclic analogs were studied in MeOD solution At 35° methyl cyclopentanecarboxylate exchanged 13 times as fast as Me α-ethylbutyrate, Me tetrahydro-2-furancarboxylate exchanged four times as fast as Me α-methoxybutyrate, and Me 1,3-dioxolane-2-carboxylate exchanged half as fast as Me dimethoxyacetate. From these results it was concluded that rates of carbanion formation may be decreased by repulsions between the unshared electron pairs of the carbanionic C atom and those of O atoms attached directly to it. Such repulsions may be minimized by appropriate rotation around the C-O bond in acyclic compounds but not as easily in cyclic compounds This electron repulsion effect operates in addition to the electronegativity effect, by which rates of formation of sp2-hybridized carbanions are slowed by highly electroneg. atoms attached directly to the site of carbanion formation. This interpretation of the results is analogous to that required to explain to explain recent observations on rates of pyramidal inversions at N and P.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Continuously updated synthesis method about 610-09-3

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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-Cyclohexane-1,2-dicarboxylic acid, is researched, Molecular C8H12O4, CAS is 610-09-3, about The ionization of aliphatic dicarboxylic acids in water.Application In Synthesis of cis-Cyclohexane-1,2-dicarboxylic acid.

Potentiometric, calorimetric, and dilatometric data on the ionization of several saturated dicarboxylic acids in water at 25° are reported. A correlation is attempted between structure and thermodn. evidences for the two dissociation stages of the diacids considered, in particular in terms of the propensity toward intramol. H bond formation of some singly ionized species.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Flexible application of in synthetic route 3326-71-4

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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: 3326-71-4, is researched, Molecular C5H6N2O2, about Synthesis, characterization and biological activity of nano-sized Co(II), Ni(II), Cu(II), Pd(II) and Ru(III) complexes of tetradentate hydrazone ligand, the main research direction is transition metal Schiff terephthaldehyde furanamido hydrazide complex preparation ESR; thermal stability antioxidant transition metal Schiff terephthaldehyde furanamido hydrazide; anticancer transition metal Schiff terephthaldehyde furanamido hydrazide complex; frontier mol orbital transition metal Schiff terephthaldehyde furanamido hydrazide.Formula: C5H6N2O2.

Furo-(phenyldimethine)carbohydrazone (H2L) was prepared via the condensation reaction of 2-furoic acid hydrazide with terephthaldehyde by (2:1) molar ratio. Octahedral and square planar complexes were synthesized from the reaction of (H2L) ligand with chloride salts of Co(II), Ni(II), Cu(II), Ru(III) and Pd(II) ions. All the chelates were structurally characterized by various anal. and spectral techniques. The stoichiometry of chelates was found to be 1:1, 1:2 and 1:3 (L:M) molar ratios to form sandwich, binuclear and trinuclear complexes, resp. All complexes were found to be non-electrolytic in nature on the basis of molar conductance values. The IR data showed that the ligand served as tetradentate in a neutral keto form. The ligand coordinated with all metal ions via oxygen atoms of carbonyl group and furan ring. The thermal properties of the ligand and its chelates were investigated utilizing thermogravimetry and reflected that Ru(III) complex has lower thermal stability than other complexes. X-ray diffraction spectra established nano-size for Ni(II) and Ru(III) complexes. The ESR result revealed axial symmetry with hyperfine structure for Cu(II) complex indicative of (2B1g) as a ground state. Some quantum parameters were reported in order to compare the reactivity of the compounds The biol. data indicated that all complexes have cytotoxic and antioxidant activity rather than the native ligand. Among all complexes, Ru(III) complex had excellent cytotoxic and antioxidant activity. This was due to its chem. structure and its nano-size.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

The origin of a common compound about 3326-71-4

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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: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Naphthalimide-based probe for the detection of hypochlorite in a near-perfect aqueous solution.Reference of 2-Furoic hydrazide.

A novel fluorescent turn-off sensor JM for hypochlorite was synthesized. JM showed a remarkable selectivity for ClO- over diverse competitive analytes, including reactive oxygen species (ROS), via deprotonation reaction. Detection limit for ClO- turned out to be 0.60μM. Sensor JM successfully determined ClO- in natural water samples with satisfactory recovery. The sensing mechanism of JM to hypochlorite was demonstrated by fluorescent and UV-visible spectroscopy, ESI-mass, NMR titration and TD-DFT calculations

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics