Heterocyclic Building Blocks-Benzisoxazole

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. 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, the main research direction is diaryl oxadiazole preparation; acylhydrazine methyl azaarene iodine base mediated oxidative amination cyclization.Application In Synthesis of 2-Furoic hydrazide.

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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Formula: C8H12O4. 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: cis-Cyclohexane-1,2-dicarboxylic acid, is researched, Molecular C8H12O4, CAS is 610-09-3, about catena-Poly[[dimethyltin(IV)]-μ-cis-cyclohexane-1,2-dicarboxylato]. Author is Wang, Yuerong; Zhang, Rufen; Li, Yongxin.

The title complex, [Sn(CH3)2(C8H10O4)]n, was synthesized from cis-cyclohexane-1,2-dicarboxylic acid and dimethyltin dichloride. The complex has a bridging bis-bidentate carboxylate group resulting in a zig-zag chain structure parallel to [001]. The Sn atom is six-coordinated and displays a distorted octahedral geometry. Crystallog. data are given.

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Tanczos, I.; Schoeflinger, M.; Schmidt, H.; Balla, J. published an article about the compound: Methyl tetrahydrofuran-2-carboxylate( cas:37443-42-8,SMILESS:O=C(C1OCCC1)OC ).Product Details of 37443-42-8. 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.

Recently, tetramethylammonium hydroxide (TMAH) was advantageously used in the anal. pyrolysis of polymers, but yielded a great amount of carboxylic acid Me esters which were absent in conventional pyrolysis. The experiments with model compounds such as furaldehyde, benzaldehyde, hydroxy-, methoxy-, dimethoxybenzaldehyde and vanillin show that TMAH can react not only as a methylating and/or hydrolyzing agent but also with aldehydes according to a Cannizzaro reaction and the reaction products can be in-situ methylated to the corresponding esters and ethers.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 2-Furoic hydrazide( cas:3326-71-4 ) is researched.Recommanded Product: 3326-71-4.Ferreira, Ricardo J.; Gajdacs, Mario; Kincses, Annamaria; Spengler, Gabriella; dos Santos, Daniel J. V. A.; Ferreira, Maria-Jose U. published the article 《Nitrogen-containing naringenin derivatives for reversing multidrug resistance in cancer》 about this compound( cas:3326-71-4 ) in Bioorganic & Medicinal Chemistry. Keywords: preparation nitrogen containing naringenin derivative reversing multidrug resistance cancer; Docking; Efflux modulators; Flavonoids; Molecular dynamics; Multidrug resistance; P-glycoprotein. Let’s learn more about this compound (cas:3326-71-4).

Naringenin (1), isolated from Euphorbia pedroi, was previously derivatized yielding compounds 2-13. In this study, aiming at expanding the pool of analogs of the flavanone core towards better multidrug resistance (MDR) reversal agents, alkylation reactions and chem. modification of the carbonyl moiety was performed (15-39). Compounds structures were assigned mainly by 1D and 2D NMR experiments Compounds 1-39 were assessed as MDR reversers, in human ABCB1-transfected mouse T-lymphoma cells, overexpressing P-glycoprotein (P-gp). The results revealed that O-methylation at C-7, together with the introduction of nitrogen atoms and aromatic moieties at C-4 or C-4′, significantly improved the activity, being compounds 27 and 37 the strongest P-gp modulators and much more active than verapamil. In combination assays, synergistic interactions of selected compounds with doxorubicin substantiated the results. While mol. docking suggested that flavanone derivatives act as competitive modulators, mol. dynamics showed that dimethylation promotes binding to a modulator-binding site. Moreover, flavanones may also interact with a vicinal ATP-binding site in both nucleotide-binding domains, hypothesizing an allosteric mode of action.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: cis-Cyclohexane-1,2-dicarboxylic acid(SMILESS: O=C([C@H]1[C@@H](C(O)=O)CCCC1)O,cas:610-09-3) is researched.Formula: C5H7BrO3. The article 《Generic Ion Chromatography-Conductivity Detection Method for Analysis of Palladium Scavengers in New Drug Substances》 in relation to this compound, is published in Organic Process Research & Development. Let’s take a look at the latest research on this compound (cas:610-09-3).

The revolution of palladium-catalyzed reactions in the synthesis of new mols. has created an unprecedented need for highly efficient palladium (Pd) removal processes. Metal scavengers with very selective and efficient removal properties are being extensively applied across process research and development (PR&D) to meet very tight specifications for residual Pd levels. Anal. procedures for the determination of residual Pd are well-established; however, developing methodologies to detect a variety of Pd scavengers in multicomponent reaction mixtures is currently considered an emerging challenge in pharmaceutical anal. Herein a simple and efficient generic ion chromatog.-conductivity detection (IC-CD) method on a Dionex IonPac AS19 column in conjunction with a fully aqueous eluent profile (potassium-hydroxide-based) capable of chromatog. resolving over 10 Pd scavenger species commonly used in PR&D workflows is described. Computer-assisted separation modeling using an ACD Labs/LC simulator served to generate 3D resolution maps with excellent separation conditions that matched the outcome of subsequent exptl. data. Method validation experiments showed excellent anal. performance in linearity, recovery, repeatability, and LOQ/LOD. In addition, these same chromatog. conditions can sep. multiple anionic species and active pharmaceutical (API) counterions along with Pd scavengers in the same exptl. run. We also provide strategic examples where API counterion interferences (e.g., sulfate) can be minimized by treating the API sulfate form with barium acetate to enhance the recovery of the Pd scavenger analyte.

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Electric Literature of C6H10O3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. 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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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 Preparation and acetylcholinesterase inhibitory activities of pyridine-based 1,3,4-oxadiazole derivatives. Author is Yu, Xiang; Yang, Wude; Huang, Ling; Zhou, Xingji; Chen, Yafang.

Fourteen pyridine-based 1,3,4-oxadiazole derivatives I [R = n-Bu, Ph, 3-pyridyl, etc.] were synthesized from pyridine-2-carboxaldehyde via iodine-mediated oxidative cyclization with substituted hydrazides by using the impregnation method. Their structures were confirmed by m.p., 1H NMR, 13C NMR and HRMS. Preliminary bioassay of these derivatives I, inhibition of acetylcholinesterase (AChE) was also evaluated in-vitro at the concentration of 1μmol/mL. The result showed that compounds I [R = 3-methoxyphenyl, 3-pyridyl, 4-pyridyl] had moderate inhibitory activities with 52%, 59% and 59%, resp. The preliminary structure-activity relationships revealed that the introduction of pyridine ring could enhance the activity. Mol. docking study demonstrated that compound I [R = 4-pyridyl] possessed an optimal docking pose with interactions at the middle of the catalytic active site (CAS) and peripheral anionic site (PAS) of AChE.

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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 A new fluorescent chemosensor for Al(III) detection with highly selective in aqueous solution and solid test paper, the main research direction is fluorescent chemosensor Al detection test paper.Name: 2-Furoic hydrazide.

A new fluorescent chemosensor (I) based on salicylaldehyde hydrazide was facilely synthesized through one-step reaction, which exhibited turn-on fluorescent response to Al(III) with 18-fold fluorescence enhancement in aqueous solution at pH 5.5. The binding stoichiometry of 1 toward Al(III) was in 1:1. High selectivity and sensitivity to Al(III) were achieved, which featured a detection limit of 67 nmol L-1 and a linear rang of 1-10 μmol L-1. More importantly, the sensing process could be also performed on solid test paper. After the addition of Al(III), a significant emission color change from yellow to cyan was observed by naked eye due to the intrinsic aggregation-induced emission (AIE) characteristic of 1.

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Synthetic Route of C8H12O4. 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 Counterion-Controlled Formation of an Octanuclear Uranyl Cage with cis-1,2-Cyclohexanedicarboxylate Ligands. Author is Thuery, Pierre; Atoini, Youssef; Harrowfield, Jack.

Cis-1,2-Cyclohexanedicarboxylic acid (c-chdcH2) was reacted with uranyl nitrate under (solvo-)hydrothermal conditions in the presence of different possible counterions. Two neutral complexes of 1:1 stoichiometry were obtained, [UO2(c-chdc)(DMF)] (1) and [UO2(c-chdc)(H2O)] (2), which crystallize as two-dimensional coordination polymers and do not include the addnl. cations present in solution In contrast, the complex [NH4][PPh4][(UO2)8(c-chdc)9(H2O)6]•3H2O (3) crystallized in the presence of PPh4Br, ammonium cations being generated in situ from acetonitrile hydrolysis. This complex of 8:9 uranium:ligand stoichiometry contains an octanuclear anionic cage of D3 symmetry with a pseudo-cubic arrangement of uranium atoms. The ammonium cation is held within the cage through four hydrogen bonds with uranyl oxo groups directed inwards. This cage complex is luminescent, although with a low quantum yield of 0.06, indicating some potential as a photo-oxidant of included species.

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Rani Gupta, Shraddha; Yadav, Pranjalee; Singh, Priya; Koch, Biplob; Singh, Vinod P. published an article about the compound: 2-Furoic hydrazide( cas:3326-71-4,SMILESS:O=C(C1=CC=CO1)NN ).Formula: 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.

A furan-based water soluble fluorescent probe (E)-N′-(2,4-dihydroxybenzylidene)furan-2-carbohydrazide (DBF) has been synthesized and characterized by 1H NMR, 13C NMR, ESI-mass spectroscopy and single crystal X-ray diffraction techniques. The synthesized probe exhibits a “”turn-on”” fluorescence response towards Al3+ in Tris-HCl buffer (10 mM) with no significant interference from other metal ions. The strong fluorescence in the presence of Al3+ is attributed to the CHEF (chelation enhanced fluorescence), inhibition of PET (photo-induced electron transfer) and C=N isomerization. 1 : 1 stoichiometric ratio between DBF and Al3+ was rationalized by Job′s plot. Binding constant and LOD were calculated to be 1.031×105 M-1 and 6.34×10-8 M, resp. MTT assay on live A549 cells indicated no serious cytotoxicity in the cells even at higher concentration Further, DBF was successfully used for the detection of accumulated Al3+ in the cytoplasm of cells.

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