Heterocyclic Building Blocks-Benzisoxazole

Computed Properties of C6H10O3. 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: Methyl tetrahydrofuran-2-carboxylate, is researched, Molecular C6H10O3, CAS is 37443-42-8, about Low Temperature Chlorine-Initiated Oxidation of Small-Chain Methyl Esters: Quantification of Chain-Terminating HO2-Elimination Channels. Author is Muller, Giel; Scheer, Adam; Osborn, David L.; Taatjes, Craig A.; Meloni, Giovanni.

Cl-initiated oxidation reactions of three small-chain Me esters, Me propanoate (CH3CH2COOCH3; MP), Me butanoate (CH3CH2CH2COOCH3; MB), and Me valerate (CH3CH2CH2CH2COOCH3; MV), are studied at 1 or 8 Torr and 550 and 650 K. Products are monitored as a function of mass, time, and photoionization energy using multiplexed photoionization mass spectrometry coupled to tunable synchrotron photoionization radiation. Pulsed photolysis of mol. chlorine is the source of Cl radicals, which remove an H atom from the ester, forming a free radical. In each case, after addition of O2 to the initial radicals, chain-terminating HO2-elimination reactions are observed to be important. Branching ratios among competing HO2-elimination channels are determined via absolute photoionization spectra of the unsaturated Me ester coproducts. At 550 K, HO2-elimination is observed to be selective, resulting in nearly exclusive production of the conjugated Me ester coproducts, Me propenoate, methyl-2-butenoate, and methyl-2-pentenoate, resp. However, in MV, upon raising the temperature to 650 K, other HO2-elimination pathways are observed that yield Me 3-pentenoate and Me 4-pentenoate. In each Me ester oxidation reaction, a peak is observed at a mass consistent with cyclic ether formation, indicating chain-propagating OH loss/ring formation pathways via QOOH intermediates. Evidence is observed for the participation of resonance-stabilized QOOH in the most prominent cyclic ether pathways. Stationary point energies for HO2-elimination pathways and select cyclic ether formation channels are calculated at the CBS-QB3 level of theory and assist in the assignment of reaction pathways and final products.

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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 Inorganic and Organometallic Polymers and Materials called Synthesis, Structures, and Catalytic Properties of Three New Metal-Organic Coordination Polymers Constructed from Flexible Benzimidazole-Based and cis-1,2-Cyclohexanedicarboxylate Synthons, Author is Ming, Chun-Lun; Hao, Zeng-Chuan; Yu, Bao-Yi; Van Hecke, Kristof; Cui, Guang-Hua, the main research direction is crystal structure benzimidazole cobalt zinc silver cyclohexanedicarboxylate coordination polymer; mol structure benzimidazole cobalt zinc silver cyclohexanedicarboxylate coordination polymer.Safety of cis-Cyclohexane-1,2-dicarboxylic acid.

Three metal-organic coordination polymers {[Co(pbmb)(chadc)]·2H2O}n (1), {[Zn(pbmb)(chadc)]·2H2O}n (2), and [Ag(pbmb)(chadc)]n (3) (pbmb = 1,1′-(1,3-propanediyl)bis(2-methylbenzimidazole), chadc = cis-1,2-cyclohexanedicarboxylate anion), were hydrothermally synthesized by self-assembly of a flexible bis(2-methylbenzimidazole) ligand and one dicarboxylate anion with three kinds of metal salts. All the compounds were characterized by single-crystal x-ray diffraction and physicochem. spectroscopic methods. Complexes 1 and 2 possess a 1-dimensional sequence of fused rings and 3 shows a 1-dimensional helical chain structure, which are bridged by pbmb and chadc ligands. Complex 2 and 3 are further packed into 2-dimensional and 3-dimensional supramol. architectures by diverse π-π interactions, resp. The study as heterogeneous catalyst in a Fenton-like process for 1-3 reveals different performances. The fluorescence properties of 1-3 were studied in the solid state.

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Sennappan, M.; Murali Krishna, P.; Hari Krishna, R. published an article about the compound: 2-Furoic hydrazide( cas:3326-71-4,SMILESS:O=C(C1=CC=CO1)NN ).Computed Properties of C5H6N2O2. 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:3326-71-4) through the article.

The present work describes the synthesis of novel (E)-furan-2-yl(2-(2-hydroxybenzylidene)hydrazinyl) methaniminium in water/methanol(3:1) mixture, water acting as catalyst and also solvent to expedite reaction rate with high yield. In which, amine exchange and condensation reaction takes place between N-salicylidene aniline and furanoic acid hydrazide at one step. The structural characterization of prepared ligand was carried out by single crystal x-ray diffraction, elemental anal. and spectroscopy (UV-visible, FTIR and NMR) techniques. The single crystal x-ray diffraction result indicates that the ligand crystallizes in orthorhombic system with Pca21 space group. Further, Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes of ligand were prepared Complexes were analyzed by elemental anal., magnetic susceptibility and spectroscopy (UV-visible, FTIR and ESR) studies. The DNA binding studies of synthesized compounds were carried out and results suggest that, ligand L and its transition metal complexes 1-6 were binding to CT-DNA through intercalation. It was confirmed by intrinsic binding constant value in the order of 106 M-1. The fluorescence properties of ligand L and its metal complexes 1-6 were investigated; ligand showed broad emission spectra in the visible region and its metal complexes exhibited emission spectra in the blue to red.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Furoic hydrazide(SMILESS: O=C(C1=CC=CO1)NN,cas:3326-71-4) is researched.Recommanded Product: 35621-01-3. The article 《Investigation of DNA interaction and antiproliferative activity of mixed ligand dioxidomolybdenum(VI) complexes incorporating ONO donor aroylhydrazone ligands》 in relation to this compound, is published in Polyhedron. Let’s take a look at the latest research on this compound (cas:3326-71-4).

Four new mixed ligand dioxidomolybdenum(VI) [MoVIO2L1-3(Q)] (1-3), [MoVIO2L4(Q)]2 (H2O) (4) [where Q = MeOH for 1 and imidazole for 2-4] complexes were synthesized using four different ONO donor aroylhydrazone ligands (H2L1-4). All the derived ligands and complexes were characterized by different physicochem. techniques, i.e., elemental anal., spectroscopic methods (UV-Vis, NMR and IR), and cyclic voltammetry. The mol. geometries of 1-4 were established by X-ray crystallog. which reveals the Schiff base ligands coordinate – the distorted octahedral metal centers in a di-neg. tridentate fashion. The complexes indicated moderate binding affinity (103 to 104 M-1) towards CT-DNA. Further, in vitro cytotoxicity activity of all the complexes were determined against HT-29 (colon cancer) and HeLa (cervical cancer) cell lines. Complex 4, due to the presence of a heterocyclic 2-hydroxy-1-naphthyl moiety in the ligand backbone, was found to be more biol. active in comparison to the others in the series.

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Abe, Takashi; Tamura, Masanori; Sekiya, Akira published the article 《Electrochemical fluorination of several esters derived from oxolane-2-yl-carboxylic acid, oxolane-2-yl-methanol and oxane-2-yl-methanol》. Keywords: electrochem fluorination furanmethanol pyranmethanol cyclopentanemethanol; oxolane carbonyl fluoride preparation electrochem fluorination; fluoro spiro ether oxolane carbonyl fluoride preparation electrochem fluorination; oxolanemethanol electrochem fluorination.They researched the compound: Methyl tetrahydrofuran-2-carboxylate( cas:37443-42-8 ).Related Products of 37443-42-8. 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:37443-42-8) here.

Electrochem. fluorination (ECF) of ester derivatives of (tetrahydro-2-furanyl)carboxylic acid (I), (tetrahydro-2-furanyl)methanol (II) and (2-oxanyl)methanol (III) were investigated. Perfluoro oxolane carbonyl fluoride was obtained from derivatives of I and II, and perfluoro(oxane-2-yl-carbonyl fluoride) was obtained from derivatives of III as the desired compounds, resp. From the ECF of acetates, perfluoro-spiro-ether derivatives having a dioxolane ring were also obtained as the cyclization product in low yield together with a perfluoro acid fluoride. The structure of these perfluoro-spiro-ether derivatives was confirmed by analyzing the chlorinated products, which were obtained by the reaction with AlCl3.

Compound(37443-42-8)Related Products of 37443-42-8 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(Methyl tetrahydrofuran-2-carboxylate), if you are interested, you can check out my other related articles.

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Computed Properties 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 Modification of Monocarboxylic Acid Hydrazides with Tropylium Salts. Author is Yunnikova, L. P.; Esenbaeva, V. V..

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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Benzisoxazole – Wikipedia,
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Recommanded Product: 2-Furoic hydrazide. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about A simple fluorescent probe for selective detection of Al3+ based on furan Schiff base and its crystal structure. Author is Peng, Hua-nan; Liu, Yi-qing; Huang, Jia-qi; Huang, Shou-Shun; Cai, Xin-ping; Xu, Shu-juan; Huang, Ai; Zeng, Qiang; Xu, Miao.

A simple “”turn-on”” fluorescent probe L was synthesized by condensation of furan-2-carbohydrazide and 2-hydroxy-4-methoxybenzaldehyde, and its structure was confirmed by single crystal X-ray diffraction. The probe L exhibited excellent selectivity towards Al3+ over other coexistent metal ions with remarkable fluorescence enhancement, accompanied by color change from colorless to blue. Moreover, the probe L showed high sensitivity to Al3+ with low detection limit (3.10 x 10-8 M) in the pH range of 3.0-8.0. The possible sensing mechanisms of L toward Al3+ were determined by Job plots experiments, high resolution mass spectrometry (HRMS), 1H NMR spectra and the d. functional theory (DFT) calculations Addnl., the probe L was successfully applied for detection of Al3+ in water samples with satisfactory results.

Compound(3326-71-4)Recommanded Product: 2-Furoic hydrazide received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(2-Furoic hydrazide), if you are interested, you can check out my other related articles.

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Safety of 2-Furoic hydrazide. 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 In vitro evaluations of biomolecular interactions, antioxidant and anticancer activities of Nickel(II) and Copper(II) complexes with 1:2 coordination of anthracenyl hydrazone ligands.

A set of nickel(II) and copper(II) complexes incorporated anthracenyl hydrazone ligands were synthesized and characterized with the help of various spectroscopic techniques. Single-crystal XRD studies revealed that all four complexes have square planar geometry in which the hydrazones are coordinated through NO atoms with 1:2 metal to ligand stoichiometry. Bio-mol. interactions of these complexes were analyzed using UV and emission spectroscopic studies, which revealed that compounds interact with calf thymus DNA (CT-DNA) through intercalation and also bind strongly with BSA. This further has been confirmed by theor. studies. Anticancer nature of the compounds was evaluated with the help of MTT assay against colon cancer cells (HCT-15) and normal skin cells (L929). It is verified that the complexes showed excellent cytotoxicity to cancer cells whereas negligible toxicity towards normal cells. Antioxidant activity was checked by DPPH radical scavenging assay and found that the complexes are capable of reducing available radicals. The complexes initiated cell death via reactive oxygen species generation was determined by ROS assay. The morphol. transformations observed in cell lines treated with different concentrations of complexes have been observed with the help of SEM (SEM). Flow cytometric anal. expressed that the synthesized complexes can induce apoptotic cell death, hence eligible for further studies.

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

COA of Formula: C6H10O3. 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 Asymmetric protonation of lithium enolate of α-amino acid derivatives using chiral Bronsted acids.

Chiral alcs. possessing an asym. 2-oxazoline ring were synthesized as new chiral Bronsted acids from tetrahydro-2-furoic acid and (1S,2R)-2-amino-1,2-diphenylethanol. These alcs. were superior to (S,S)- or (R,R)-imide reported previously as a chiral proton source for enantioselective protonation of lithium enolate of an alanine derivative

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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, Article, ACS Omega called Design, Synthesis, and Antifungal Activity of Novel Longifolene-Derived Diacylhydrazine Compounds, Author is Zhao, Shuyan; Lin, Guishan; Duan, Wengui; Zhang, Qianan; Huang, Yinglan; Lei, Fuhou, which mentions a compound: 3326-71-4, SMILESS is O=C(C1=CC=CO1)NN, Molecular C5H6N2O2, Quality Control of 2-Furoic hydrazide.

Succinate dehydrogenase (SDH) present in the inner mitochondrial membrane is an important target enzyme for the design of SDH inhibitor-type fungicides. Using SDH as the target enzyme, 22 novel longifolene-derived diacylhydrazine compounds were designed and synthesized using the renewable natural product longifolene as the starting material. Their structures were confirmed by IR, 1H NMR, 13C NMR, electrospray mass spectrometry, and elemental anal. In vitro antifungal activity of the target compounds was preliminarily evaluated. As a result, some of them showed better or comparable antifungal activity than that of the com. fungicide chlorothalonil, in which compound I had inhibitory rates of 97.5, 80.5, 72.1, and 67.1% against Physalospora piricola, Colletotrichum orbiculare, Alternaria solani, and Gibberella zeae, resp., presenting excellent and broad-spectrum activity that deserved further study. Besides, a reasonable and effective three-dimensional structure-activity quant. relationship model has been established. There was a significant pos. correlation between the antifungal activity and the docking-based binding energy analyzed using Spearman’s rank correlation algorithm. Also, the simulative binding pattern of the target compounds with SDH was investigated by mol. docking study. Furthermore, the diacylhydrazine and phenol groups of the target compounds were proposed to be the potential pharmacophores by frontier MO anal.

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics