Day: March 30, 2022

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 Synthesis, Antifungal Activity, 3D-QSAR and Molecular Docking Study of Novel Menthol-Derived 1,2,4-Triazole-thioether Compounds, published in 2021, which mentions a compound: 3326-71-4, Name is 2-Furoic hydrazide, Molecular C5H6N2O2, Quality Control of 2-Furoic hydrazide.

A series of novel menthol-derived triazole-thioether compounds I [R = 2-MeC6H4, 3,4-di-MeOC6H3, 2-thienyl, etc.] were designed, synthesized, characterized structurally and evaluated biol. to explore more potent natural product-based antifungal agents. The bioassay results revealed that at 50μg/mL, some of the target compounds exhibited good inhibitory activity against the tested fungi, especially against Physalospora piricola. Compounds I [R = 2-MeC6H4, 2-ClC6H4, 3,4-di-MeOC6H3, 2-furyl, etc.] had inhibition rates of 93.3%, 79.4%, and 79.4%, resp., against P. piricola, much better than that of the pos. control chlorothalonil. Compounds I [R = 3,4-di-MeOC6H3, 3-FC6H4] held inhibition rates of 82.4% and 86.5% against Cercospora arachidicola and Gibberella zeae, resp., much better than that of the com. fungicide chlorothalonil. Compound I [R = 2-MeC6H4] displayed antifungal activity of 90.5% and 83.8%, resp., against Colleterichum orbicalare and Fusarium oxysporum f. sp. cucumerinum. Compound I [R = 2-IC6H4] had inhibition rates of 88.6%, 80.0%, and 88.0%, resp., against F. oxysporum f. sp. cucumerinu, Bipolaris maydis and C. orbiculare. Furthermore, compound I [R = 2-MeC6H4] showed the best and broad-spectrum antifungal activity against all the tested fungi. To design more effective antifungal compounds against P. piricola, 3D-QSAR anal. was performed using the CoMFA method, and a reasonable 3D-QSAR model (r2 = 0.991, q2 = 0.514) was established. The simulative binding pattern of the target compounds with cytochrome P 450 14α-sterol demethylase (CYP51) was investigated by mol. docking.

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

Beyzaei, Hamid; Malekraisi, Farideh; Aryan, Reza; Ghasemi, Behzad published the article 《Green aqueous synthesis and antimicrobial evaluation of 3,5-disubstituted 1,2,4-triazoles》. Keywords: disubstituted triazole green preparation antibacterial antifungal.They researched the compound: 2-Furoic hydrazide( cas:3326-71-4 ).SDS of cas: 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.

An eco-friendly and simple procedure was proposed for the synthesis of 3,5-disubstituted 1,2,4-triazoles I [R = Ph, 4-pyridyl, 2-furyl, etc.] by optimized reaction of benzamidine hydrochloride and various aryl hydrazides. The products were generated in good to high yields in one step and sufficient purity after a simple workup. Inhibitory activity of all prepared derivatives was evaluated against 10 pathogenic bacterial strains including both Gram-pos. and Gram-neg., as well as 2 mold and 1 yeast strains. The prepared derivatives showed good antimicrobial activities and 1,2,4-triazoles containing 2-hydroxynaphthalen-3-yl and 5-chlorothiophen-2-yl substituents at position 3 showed the best antifungal and antibacterial properties, resp.

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

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: 3326-71-4, is researched, SMILESS is O=C(C1=CC=CO1)NN, Molecular C5H6N2O2Journal, Russian Journal of Organic Chemistry called Modification of Monocarboxylic Acid Hydrazides with Tropylium Salts, Author is Yunnikova, L. P.; Esenbaeva, V. V., the main research direction is hydrazide tropylium salt modification.Product Details of 3326-71-4.

Nicotinic, isonicotinic, and furan-2-carboxylic acid hydrazides reacted with 2 equiv of tropylium perchlorate or tetrafluoroborate to give the corresponding N’N’-di(cyclohepta-2,4,6-trein-1-yl) derivatives as a result of electrophilic substitution of both hydrogen atoms in the primary amino group. The reaction of furan-2-carbohydrazide with an equimolar amount of tropylium salt gave N’-(cyclohepta-2,4,6-trien-1-yl)furan-2-carbohydrazide.

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

Product Details of 3326-71-4. 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: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Synthesis, crystal structure, DNA/bovine serum albumin binding and antitumor activity of two transition metal complexes with 4-acylpyrazolone derivative. Author is Zhang, Yan-Ping; Li, Yue; Xu, Guan-Cheng; Li, Jin-Yu; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng.

Two new complexes, namely [Cu6L6] (1) and [Zn(HL)2] (2) (H2L = N-(1-phenyl-3-methyl-4-propenylidene-5-pyrazolone)-2-furancarboxylic acid hydrazide), have been synthesized and characterized. Single crystal x-ray anal. indicates that complex 1 has a hexanuclear structure and complex 2 exhibits a mononuclear structure. The DNA/bovine serum albumin (BSA) binding properties of 1 and 2 were investigated by absorption spectroscopy and fluorescence quenching. Both complexes could effectively intercalate to DNA with calculated quenching constants of 2.6 × 105 and 1.25 × 105 M-1, resp. The quenching mechanism of the intrinsic fluorescence of BSA by the complexes is a static one. The cytotoxicities of 1 and 2 were investigated in two human tumor cell lines, human esophageal cancer cells (Eca-109) and cervical cancer cells (HeLa). Complex 1 exhibits higher antitumor activity than 2. Furthermore, 1 can inhibit HeLa cells by inducing apoptosis and G0/G1 phase cell cycle arrest. All results demonstrate that 1 and 2 both have DNA/BSA binding capacity and antitumor activity.

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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 《Stereochemistry of cyclic compounds. 1,3-Cyclopentenedione in Diels-Alder reaction》. Authors are Kucherov, V. F.; Ivanova, L. I..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).Recommanded Product: 610-09-3. Through the article, more information about this compound (cas:610-09-3) is conveyed.

Oxidation of 1,3-cyclopentenediol with CrO3 in AcOH with ice cooling gave 26% 1,3-cyclopentenedione (I), b1 60°, n20D 1.5045, m. 35-6°, after cooling. The dione condenses readily with butadiene in C6H6 (pyrogallol added) in 2 weeks at room temperature to yield cis-Δ5-hexahydroindene-1,3-dione, m. 157.5-8.5°; hydrogenation over Pd gave 1,3-hydrindandione, m. 86-6.5°, which with Br2-NaOH gave cis-1,2-cyclohexanedicarboxylic acid, m. 186.5-7.5°. I condensed with isoprene in C6H6 to the adduct, 5-methyl-Δ5-hexahydroindene-1,3-dione, m. 84.5-5.5°. Cyclopentadiene gave the adduct, C10H10O2, m. 178-8.5°, which hydrogenated over Pd to endomethylenehydrindan-1,3-dione, m. 166-6.5°. I and 1-vinylcyclohexene gave the adduct, 4,5-tetramethylene-Δ5-hexahydroindene-1,3-dione, m. 120-1°. I and 6-methoxy-1-vinyl-Δ3,4-dihydronaphthalene similarly gave in 1 day at room temperature II, m. 206.5-7.5°.

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

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: 610-09-3, is researched, SMILESS is O=C([C@H]1[C@@H](C(O)=O)CCCC1)O, Molecular C8H12O4Journal, Journal of the American Chemical Society called Photoreduction of carbon dioxide to its radical anion by nickel cluster [Ni3(μ3-I)2(dppm)3]: formation of two carbon-carbon bonds via addition of carbon dioxide radical anion to cyclohexene, Author is Morgenstern, David A.; Wittrig, Rebecca E.; Fanwick, Phillip E.; Kubiak, Clifford P., the main research direction is photochem reduction carbon dioxide nickel cluster; cyclohexene photochem dicarboxylation.Recommanded Product: 610-09-3.

The trinuclear cluster Ni3(μ3-I)2(dppm)3, (1) [dppm = bis(diphenylphosphino)methane] is formed by conproportionation of Ni(COD)2 and NiI2 in the presence of dppm. Cluster 1 and its singly oxidized radical cation (2) have been characterized spectroscopically and by x-ray diffraction. Cluster 2 exhibits a slight Jahn-Teller distortion of its triangular nickel framework. Irradiation of 1 in the presence of CO2 results in photochem. electron transfer to produce CO2•- and 2. The CO2•- can be trapped by H-atom abstraction from toluene to produce formate ion or with cyclohexene to form cis- and trans-1,2-cyclohexanedicarboxylic acid. The radical anion disproportionation products, carbonate and CO, are observed in the absence of a trapping reagent for CO2•-.

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

Product Details of 3326-71-4. 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 KHSO4 mediated facile synthesis of 2-amino-1,3,4-oxadiazole derivatives. Author is Long, Binyu; Tian, Binghua; Tang, Qiang; Hu, Xiangnan; Han, Lei; Wang, Zifan; Wang, Chenyu; Wu, Yue; Yu, Yu; Gan, Zongjie.

A novel, efficient and mild KHSO4 mediated synthesis for 2-amino-1,3,4-oxadiazoles were established via the cyclodesulfurization of benzoylhydrazine and isothiocyanate derivatives in one pot. The reactions proceeded smoothly at room temperature and produced corresponding products in moderate to good yields. This protocol also showed good functional group tolerance.

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

Application In Synthesis of Methyl tetrahydrofuran-2-carboxylate. 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. Compound: Methyl tetrahydrofuran-2-carboxylate, is researched, Molecular C6H10O3, CAS is 37443-42-8, about The enzymatic resolution of 1-(4-chlorophenyl)ethylamine by Novozym 435 to prepare a novel triazolopyrimidine herbicide.

The kinetic resolution of (R,S)-1-(4-chlorophenyl)ethylamine was accomplished using a com. lipase from Candida antarctica (Novozym 435). The performance of this lipase was investigated for the enantioselective amidation of (R,S)-1-(4-chlorophenyl)ethylamine, leaving the target product (S)-1-(4-chlorophenyl)ethylamine in its unreacted form. The effects of various types of solvents and an acyl donor, the molar ratio of the substrate to the acyl donor, and the reaction temperature were studied. The optimum reaction conditions were found to result in amidation with Me 2-tetrahydrofuroate at 40°C in Me tert-Bu ether, with a substrate/acyl donor molar ratio of 1:2.4. The conversion rate of (R,S)-1-(4-chlorophenyl)ethylamine was 52%, with an enantiomeric excess of 99% towards the unreacted substrate in a reaction time of 22 h. Finally, using optically pure (S)-1-(4-chlorophenyl)ethylamine as the raw material, the chem. synthesis of (S)-N-(1-(4-chlorphenyl)ethyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)acetamide, a novel triazolopyrimidine herbicide, was achieved, and the total yield and purity were 83.5% and 95.3%, resp.

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

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Methyl tetrahydrofuran-2-carboxylate( cas:37443-42-8 ) is researched.Application In Synthesis of Methyl tetrahydrofuran-2-carboxylate.Mendes da Silva, Joaquim Fernando; Walters, Marcus; Al-Damluji, Saad; Ganellin, C. Robin published the article 《Molecular features of the prazosin molecule required for activation of Transport-P》 about this compound( cas:37443-42-8 ) in Bioorganic & Medicinal Chemistry. Keywords: prazosin analog preparation activation Transport P amine. Let’s learn more about this compound (cas:37443-42-8).

Closely related structural analogs of prazosin have been synthesized and tested for inhibition and activation of Transport-P in order to identify the structural features of the prazosin mol. that appear to be necessary for activation of Transport-P. So far, all the compounds tested are less active than prazosin. It is shown that the structure of prazosin appears to be very specific for the activation. Only quinazolines have been found to activate, and the presence of the 6,7-dimethoxy and 4-amino groups appears to be critically important.

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

Electric Literature of C5H6N2O2. 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. Compound: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Caramel products of glucose with water during heating process and their bioactivities.

In this study, the type I caramel reactions of the glucose-water system were carried out. The glucose caramel products (GCPs) at different reaction stages were collected and the reaction rate, UV absorption, flavor compound, and the antioxidant and antibacterial activities were determined The result showed that the glucose reaction rate of the GCP yielded at 180°C and 4 min arrived at the stable range of around 80.0%. For UV absorptions of GCPs at 305 nm increased approx. in the exponential order. Moreover, the GCP yielded at 180°C and 4 min was revealed to have the highest concentration of main flavor compounds and potent antioxidant and antibacterial activities.

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