Heterocyclic Building Blocks-Benzisoxazole

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 Novel 1,3,4-Oxadiazole-2-carbohydrazides as Prospective Agricultural Antifungal Agents Potentially Targeting Succinate Dehydrogenase.Product Details of 3326-71-4.

A novel simple 1,3,4-oxadiazole-2-carbohydrazides was reported to discover low-cost and versatile antifungal agents. Bioassay results suggested that a majority of the designed compounds were extremely bioactive against four types of fungi and two kinds of oomycetes. This extreme bioactivity was highlighted by the applausive inhibitory effects of compounds 4b, 4h, 5c, 5g, 5h, 5i, 5m, 5p, 5t, and 5v against Gibberella zeae, affording EC50 values ranging from 0.486μg/mL to 0.799μg/mL, which were superior to that of fluopyram (2.96μg/mL) and comparable to those of carbendazim (0.947μg/mL) and prochloraz (0.570μg/mL). Meanwhile, compounds 4g, 5f, 5i, and 5t showed significant actions against Fusarium oxysporum with EC50 values of 0.652, 0.706, 0.813, and 0.925μg/mL, resp. Pharmacophore exploration suggested that the N’-phenyl-1,3,4-oxadiazole-2-carbohydrazide pattern is necessary for the bioactivity. Mol. docking of 5h with succinate dehydrogenase (SDH) indicated that it can completely locate the inside of the binding pocket via hydrogen-bonding and hydrophobic interactions, revealing that this novel framework might target SDH. This result was further verified by the significant inhibitory effect on SDH activity. In addition, SEM patterns were performed to elucidate the anti-G. zeae mechanism. Given these features, this type of frameworks is a suitable template for future exploration of alternative SDH inhibitors against plant microbial infections.

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

SDS of cas: 610-09-3. 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: cis-Cyclohexane-1,2-dicarboxylic acid, is researched, Molecular C8H12O4, CAS is 610-09-3, about Crown Ethers and Their Alkali Metal Ion Complexes as Assembler Groups in Uranyl-Organic Coordination Polymers with cis-1,3-, cis-1,2-, and trans-1,2-Cyclohexanedicarboxylates. Author is Thuery, Pierre; Atoini, Youssef; Harrowfield, Jack.

Alkali metal cations (Na+, K+) and crown ether mols. (12C4, 15C5, 18C6) were used as addnl. reactants during the hydrothermal synthesis of uranyl ion complexes with cis/trans-1,3-, cis-1,2- and trans-1,2-cyclohexanedicarboxylic acids (c/t-1,3-chdcH2, c-1,2-chdcH2, and t-1,2-chdcH2, resp., the latter as racemic or pure (1R,2R) enantiomer). Oxalate anions generated in situ are present in all the six complexes isolated and crystallog. characterized, [(UO2)2(c-1,3-chdc)2(C2O4)][UO2(H2O)5]·(12C4)·2H2O (1), [(UO2)4Na2(c-1,2-chdc)2(C2O4)3(15C5)2] (2), [(UO2)4K2(c-1,2-chdc)2(C2O4)3(18C6)1.5(H2O)1.5] (3), [(UO2)12K5(R-t-1,2-chdc)4(C2O4)10(18C6)5(OH)(H2O)3]·4H2O (4), [(UO2)12K5(rac-t-1,2-chdc)4(C2O4)10(18C6)5(OH)(H2O)3]·4H2O (5), and [(UO2)8K4(rac-t-1,2-chdc)4(C2O4)6(18C6)3(H2O)2] (6). In complex 1, the [UO2(H2O)5]2+ counterions link the ladderlike uranyl-containing one-dimensional polymers and the uncomplexed crown ether mols. through hydrogen bonds. In all the other complexes, two-dimensional uranyl/chdc/oxalate subunits are formed, with topologies depending on the stoichiometry, in which the 1,2-chdc2- ligands are bound to three uranium atoms, one of them chelated by the two carboxylate groups, and the oxalate ligands are bis-chelating. In complex 2, the Na(15C5)+ cations are bound to one layer through double Na-carboxylate or Na-oxo cis-bonding and they are thus mere decorating groups. In contrast, the quasi-planar K(18C6)+ groups in 3-6, partially affected by disorder, are generally trans-coordinated to two uranyl oxo groups pertaining to different layers, thus uniting the latter into a three-dimensional framework.

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

COA of Formula: C5H6N2O2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about A simple and sensitive fluorescent sensor platform for Al3+ sensing in aqueous media and monitoring through combined PET and ESIPT mechanisms: practical applications in drinking water and bio-imaging. Author is Aydin, Duygu; Gunay, Ibrahim Berk; Karuk Elmas, Sukriye Nihan; Savran, Tahir; Arslan, Fatma Nur; Sadi, Gokhan; Yilmaz, Ibrahim.

In this study, a novel hydrazide-based compound, (E)-N′-(5-(benzo[d]thiazol-2-yl)-2-hydroxybenzylidene)furan-2-carbohydrazide (probe BOTH, I) was designed, characterized and prepared as a fluorogenic “”turn-on”” sensor for monitoring Al3+ in near-perfect aqueous media. All emission and absorbance spectral studies were performed in HEPES/DMSO (volume/volume, 99.95/0.05, pH = 7.0) media at 25 °C. The quantum yield of probe BOTH increases considerably in the presence of Al3+. Probe BOTH could sense Al3+ at a concentration as low as 6.47 nM. Probe BOTH could sense Al3+ with high sensitivity and selectivity, and a quant. correlation of R2 = 0.9887 in the Al3+ concentration range of 0.0-20.0 equivalent To evaluate the method parameters, a validation study was performed based on different anal. parameters. The formation of complex BOTH-Al3+ (2 : 1 stoichiometry) was confirmed by 1H-NMR titration and MALDI-TOF MS, as well as Job′s methods. pH-Dependent and Benesi-Hildebrand plot studies also supported this proposed sensing mechanism. Besides, the binding mechanism of Al3+ with probe BOTH was further verified by theor. studies. Moreover, probe BOTH could be used for monitoring Al3+ in living-cells and water samples.

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

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, Synthesis called Photoinduced direct cyanation of C(sp3)-H bonds, Author is Hoshikawa, Tamaki; Yoshioka, Shun; Kamijo, Shin; Inoue, Masayuki, which mentions a compound: 37443-42-8, SMILESS is O=C(C1OCCC1)OC, Molecular C6H10O3, Computed Properties of C6H10O3.

A general and practical synthetic protocol for the direct transformation of unreactive C(sp3)-H bonds to C(sp3)-CN bonds has been developed. The homolytic cleavage of the C-H bond is initiated by photo-excited benzophenone, and the resulting carbon radical subsequently reacts with tosyl cyanide to afford the corresponding nitrile in a highly efficient manner. The present methodol. is widely applicable to various starting materials including ethers, alcs., amine derivatives, alkanes, and alkylbenzenes. This newly developed C-H cyanation protocol provides a powerful tool for selective one-carbon elongation for the construction of architecturally complex mols.

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

Application 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 Reduction mechanism of cyclohexene-1,2-dicarboxylic acid. Author is Fujita, Reiko; Sekine, Taro.

Reduction mechanism of cyclohexene-1,2-dicarboxylic acid (I) was polarog. examined at pH 0-6. The first of the 3 waves that appeared was due to the adsorption of the product in strongly acid media. The 2nd wave was interpreted as due to a CEC (chem.-electrode-chem.) process involving preprotonation of the acid. The 3rd wave that appeared only in weakly acid media involved a CEC mechanism by which the free acid was reduced. The rate constant of the protonation of the monoanion from I was calculated Controlled-potential electrolysis produced a mixture of trans- and cis-cyclohexanedicarboxylic acid in high yield at pH 0-6. The stereoisomeric ratio of the products was influenced by pH; this was due to the difference of the stability of the reaction intermediates.

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

Nikishin, G. I.; Glukhovtsev, V. G.; Peikova, M. A.; Maksimova, N. G. published an article about the compound: Methyl tetrahydrofuran-2-carboxylate( cas:37443-42-8,SMILESS:O=C(C1OCCC1)OC ).Category: benzisoxazole. 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:37443-42-8) through the article.

Liquid phase oxidation of tetrahydrofurfuryl alc., its formate and acetate, and Me 2-tetrahydrofurancarboxylate, largely at 115°, in 10-25 hr in a flow-type glass reactor gave good yields of γ-butyrolactone or its γ-CH2OH, CH2O2CH, CH2OAc or CO2Me derivatives, resp., HCO2H and succinic acid. Evidently the oxidation occurred at the C2 and C5 positions. Uv light promoted the reaction and allowed its operation at lower temperature The summary yields of the lactones were 72-95%. The last substrate above was oxidized in the presence of Mn(OAc)2.4H2O catalyst at 70°.

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

Chethan Prathap, K. N.; Shalini, P.; Lokanath, N. K. published the article 《Synthesis, characterization, crystal structure, Hirshfeld surface analysis and DFT calculations of two novel pyrrole derivatives》. Keywords: pyrrolylethylidene benzenesulfonohydrazide diastereoselective preparation crystal structure Hirshfeld surface analysis; furancarbohydrazide ethylidenepyrrole diastereoselective preparation crystal structure Hirshfeld surface analysis.They researched the compound: 2-Furoic hydrazide( cas:3326-71-4 ).Recommanded Product: 3326-71-4. 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:3326-71-4) here.

The novel pyrroles (E)-N’-(1-(1H-pyrrol-2-yl)ethylidene)benzenesulfonohydrazide and (E)-N’-(1-(1H-pyrrol-2-yl)ethylidene)furan-2-carbohydrazide were synthesized. The synthesized comps. were characterized by (1H and 13C) NMR, FT-IR, UV-visible, TG-DTA and XRD studies.

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

Electric Literature of C5H6N2O2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Iodine-promoted one-pot synthesis of 1,3,4-oxadiazole scaffolds via sp3 C-H functionalization of azaarenes. Author is Mani, Geeta Sai; Donthiboina, Kavitha; Shankaraiah, Nagula; Kamal, Ahmed.

An efficient iodine-mediated one-pot synthetic protocol for the synthesis of 2,5-disubstituted 1,3,4-oxadiazoles scaffolds I [R = 2-furyl, Ph, 4-ClC6H4, etc.; R1 = 2-pyridyl, 2-quinolinyl, 7-Clquinolin-2-yl, etc.] was developed via sp3 C-H functionalization. This method involved oxidative amination with concomitant base-mediated cyclization of methylhetarenes and acylhydrazines by employing iodine and Cs2CO3. The key features of the present method included good functional group tolerance, a clean protocol, metal-free conditions and high yields, making this protocol an attractive strategy toward the synthesis of bioactive mols. and their key building blocks.

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

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The heats of hydration and energy contents of cis- and trans-cyclohexane-1,2-dicarboxylic acids, and their primary ions》. Authors are Wassermann, Albert.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).Formula: C8H12O4. Through the article, more information about this compound (cas:610-09-3) is conveyed.

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

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: 610-09-3, is researched, Molecular C8H12O4, about 3,8-Thionanedione 1,1-dioxide. Synthesis and solid-state conformation, the main research direction is thionane dioxide preparation conformation.Application In Synthesis of cis-Cyclohexane-1,2-dicarboxylic acid.

The title compound is conventiently prepared in 80% overall yield by ozonolysis at -78°C of the cycloadduct of SO2 with 1,2-dimethylenecyclohexane. Single-crystal X-ray anal. establishes that the nine-membered ring adopts a twist-chair-chair conformation in which the S and the mid-point of the C(5)-C(6) bond lie on a noncrystallog. C2 axis, but the ring shape differs significantly from that of cyclononane in order to accommodate transannular dipole…dipole interactions.

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