Heterocyclic Building Blocks-Benzisoxazole

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 BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF2 chromophore, the main research direction is dinuclear boron fluoro pyrrole acylhydrazone complex preparation crystal structure; electrochem fluorescence DFT dinuclear boron fluoro pyrrole acylhydrazone complex.Quality Control of 2-Furoic hydrazide.

New easily functionalisable and highly fluorescent BOPAHY chromophores were synthesized via a 1-pot two-step reaction starting from com. available pyrrole-2-carbaldehydes and resp. acyl hydrazides in the presence of BF3·OEt2. Most importantly, all BOPAHY dyes show excellent photophys. properties with quantum yields up to 0.92. Steady-state spectroscopy and quantum chem. calculations provide a first insight into these promising properties.

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Electric Literature of C8H12O4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: cis-Cyclohexane-1,2-dicarboxylic acid, is researched, Molecular C8H12O4, CAS is 610-09-3, about Novel CdII coordination polymers (1-D, 2-D to 3-D) constructed from 1,2-cyclohexanedicarboxylate and various bipyridyl ligands. Author is Kim, Eun Young; Park, Hyun Min; Kim, Ha-Yeong; Kim, Jin Hoon; Hyun, Min Young; Lee, Ju Hoon; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee.

Four CdII-(e,a-cis-1,2-chdc) complexes, [Cd(H2O)(1,2-chdc)(2,2′-bpy)] 1, [Cd(1,2-chdc)(bpe)]n 2, [Cd2(1,2-chdc)(4,4′-bpy)2]n 3A, and [Cd(H2O)(1,2-chdc)(4,4′-bpy)2]n·3n(H2O) 3B (1,2-chdc = cis-1,2-cyclohexanedicarboxylate), with different assistant ligands (2,2′-bipyridine (2,2′-bpy), 1,2-bis(4-pyridyl)ethene (bpe), and 4,4′-bipyridine (4,4′-bpy)) were synthesized and their structures were determined Depending on the assistant ligands, the structures and dimensionalities of CdII-(e,a-cis-1,2-chdc) complexes were varied. Two carboxylates in e,a-cis-1,2-chdc coordinate to CdII ions in chelating (η1:η1), bridging (η1:η1:μ2), and chelating/bridging (η2:η1:μ2) modes. Photoluminescence study of the compounds 1 and 2 showed emission of compound 1 was observed at 348 nm, while relatively weak luminescence was displayed at 516 nm for 2. The thermal stabilities of these complexes were also examined

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Benzisoxazole – an overview | ScienceDirect Topics

Electric Literature of 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 Palladium-catalyzed asymmetric hydrogenation of furan carboxylic acids.

Enantioselective hydrogenation of aromatic and heteroaromatic compounds is the field where chirally modified metal hydrogenation catalysts have the biggest potential compared to homogeneous chiral transition metal complexes. Here we report the hydrogenation of furan and benzofuran carboxylic acids over a cinchonidine-modified 5 wt% Pd/Al2O3 catalyst. (S)-Tetrahydrofuran-2-carboxylic acid was synthesized in 4 h at rt and 30 bar with 95% yield and 32% ee. The ee was lower in the hydrogenation of methylfuran carboxylic acids but up to 100% de was achieved. In the slow hydrogenation of benzofuran-2-carboxylic acid, the ee went up to 50% at 29% yield. The potential application of the method is limited by the competing hydrogenation of the quinoline rings of cinchonidine in the latter reaction, necessitating the feeding of small amounts of cinchonidine during reaction. Still, this simple method using an easily available chiral modifier and catalyst affords the highest rate and ee reported so far in the catalytic asym. hydrogenation of furan and benzofuran carboxylic acids, and it may be an attractive route in combination with optical resolution We assume that the reaction mechanism is analogous to that described for α,β-unsaturated carboxylic acids over the same catalyst, involving a 1:2-type interaction between the cinchonidine and the acid dimer.

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Category: benzisoxazole. 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 Synthesis, in silico, and in vitro evaluation of anti-leishmanial activity of oxadiazoles and indolizine containing compounds flagged against anti-targets.

Due to the lack of approved vaccines against human leishmaniasis and the limitations of the current chemotherapy inducing side effects and drug resistance, development of new, effective chemotherapeutic agents is essential. This study describes the synthesis of a series of novel oxadiazoles and indolizine-containing compounds The compounds were screened in silico using an EIIP/AQVN filter followed by ligand-based virtual screening and mol. docking to parasite arginase. Top hits were further screened vs. human arginase and finally against an anti-target battery to tag their possible interactions with proteins essential for the metabolism and clearance of many substances. Eight candidate compounds were selected for further exptl. testing. The results show measurable in vitro anti-leishmanial activity for three compounds One compound with an IC50 value of 2.18 μM on Leishmania donovani intramacrophage amastigotes is clearly better positioned than the others as an interesting mol. template for further development of new anti-leishmanial agents.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Hydrogenation of 3-methylphthalide》. Authors are Kolsaker, Per.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).Safety of cis-Cyclohexane-1,2-dicarboxylic acid. Through the article, more information about this compound (cas:610-09-3) is conveyed.

The catalytic hydrogenation, at 20° and 1 atm., of 3-methylphthalide (I) gave 60% cis-3-methylhexahydrophthalide (II), b10 130-1°, n20D 1.4748, d20 1.0595 (oxidized by NaOBr to cyclohexane-cis-1,2-dicarboxylic acid, m. 189-93°), and 40% trans-2-ethylcyclohexanecarboxylic acid (III), m. 35-7°, b10 134-5°, n20D 1.468, d20 1.015 (p-bromophenacyl ester m. 71-2°). With HI and yellow P, I gave 2-ethylbenzoic acid, b0.15 49-52°, n20D 1.5300, d20 1.462, while II gave a good yield of cyclo-C6H11CHIMe. Catalytic hydrogenation of o-AcC6H4CO2H also gave I and III.

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Benzisoxazole – an overview | ScienceDirect Topics

HPLC of Formula: 610-09-3. 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: cis-Cyclohexane-1,2-dicarboxylic acid, is researched, Molecular C8H12O4, CAS is 610-09-3, about Neel temperature enhancement by increasing the in-plane magnetic correlation in layered inorganic-organic hybrid materials.

Three inorganic-organic hybrid compounds, [MnII4(trans-1,2-chdc)4(H2O)]·0.25H2O, [MnII2(cis-1,2-chdc)2] and [MnII3(μ3-OH)2(1,2-chedc)2], were hydrothermally synthesized by controlling the conformation of cyclohexane-1,2-dicarboxylate (chdc) and cyclohex-1-ene-1,2-dicarboxylate (chedc), and characterized by x-ray crystallog. and magnetic measurements. These compounds have different infinite inorganic Mn-O layers with an interesting effect of the in-plane magnetic correlation on the Neel temperature

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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 Crystal structure of the thalidomide analog (3aR*,7aS*)-2-(2,6-dioxopiperidin-3-yl)hexahydro-1H-isoindole-1,3(2H)-dione, published in 2018-11-01, which mentions a compound: 610-09-3, Name is cis-Cyclohexane-1,2-dicarboxylic acid, Molecular C8H12O4, Recommanded Product: 610-09-3.

The title compound, C13H16N2O4, crystallizes in the monoclinic centrosym. space group, P21/c, with four mols. in the asym. unit, thus there is no crystallog. imposed symmetry and it is a racemic mixture The structure consists of a six-membered unsaturated ring bound to a five-membered pyrrolidine-2,5-dione ring N-bound to a six-membered piperidine-2,6-dione ring and thus has the same basic skeleton as thalidomide, except for the six-membered unsaturated ring substituted for the aromatic ring. In the crystal, the mols. are linked into inversion dimers by R22(8) hydrogen bonding involving the N-H group. In addition, there are bifurcated C-H···O interactions involving one of the O atoms on the pyrrolidine-2,5-dione with graph-set notation R12(5). These interactions along with C-H···O interactions involving one of the O atoms on the piperidine-2,6-dione ring link the mols. into a complex three-dimensional array. There is pseudomerohedral twinning present which results from a 180° rotation about the [100] reciprocal lattice direction and with a twin law of 1 0 0 0 [inline formula omitted] 0 0 0 [inline formula omitted] [BASF 0.044 (1)].

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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, Article, Acta Crystallographica, Section C: Crystal Structure Communications called Poly[(μ6-rac-cis-cyclohexane-1,2-dicarboxylato)strontium], Author is Robertson, Karen A.; Harrison, William T. A., the main research direction is strontium cyclohexanedicarboxylato bridged complex crystal structure; supramol mol structure strontium cyclohexanedicarboxylato bridged complex; conformation strontium cyclohexanedicarboxylato bridged complex.Quality Control of cis-Cyclohexane-1,2-dicarboxylic acid.

In the title layered coordination polymer, [Sr(C8H10O4)]n, the strontium ion adopts a distorted square-antiprismatic SrO8 geometry, arising from its coordination by six different cis-cyclohexane-1,2-dicarboxylate dianions (two bidentate and four monodentate). Within the dianion, the cyclohexane ring adopts a chair conformation and the dihedral angle between the planes of the -CO2- groups is 80.4 (6)°. The polyhedral linkage pattern leads to (100) sheets in the crystal in which the SrO8 groups share triangular faces and edges in which the Sr···Sr topol. connectivity is a 63 net. The crystal studied was a nonmerohedral twin, with the components related by a 180° rotation about [100].

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Synthetic Route of C5H6N2O2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Synthesis, structural characterization, and computational study of (E)-N’-(3,4-dimethoxybenzylidene)furan-2-carbohydrazide. Author is Mkadmh, Ahmed M.; Morjan, Rami Y.; Raftery, James; Awadallah, Adel M.; Gardiner, John M..

An efficient synthesis of the new (E)-N’-(3,4-dimethoxybenzylidene)furan-2-carbohydrazide is described. Its mol. structural features have been characterized by single crystal X-ray diffraction. Quantum chem. calculations including mol. geometry, intermol. H-bonds and vibrational frequencies were carried out for the structures to explain stability and geometry using the hybrid d. functional (DFT/B3LYP) in conjunction with 6-311 + G(d,p) basis set. The calculated structural and vibrational parameters are presented and compared with their exptl. X-ray and FTIR counterparts. The global min. and local min. ground states characteristics of the title compound and its rotamers have been theor. established through 2D potential energy scan and vibrational frequencies. Computational anal. predicted that head-to-tail E/E-dimer of the observed E-isomer has significantly stronger intermol. hydrogen bonding in solution rather than in the gaseous state. It is found that N-H and C=O vibrational bands suffering blue-shift due to intermol. hydrogen bonds (IHBs). Weak intramol. hydrogen bonds that have been detected in the monomeric form in the gaseous state and in solution are lacking in trimers and tetramers due to loss of planarity in the mol. structure. Optimization in solution clearly shows that the strength of the IHBs decreased exponentially with dielec. continuum of the solvent used. Inexistence of solvent/monomer intermol. hydrogen bonds has been explained in terms of Condensed Fukui Functions.

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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, Validation Study, Electrophoresis called Positional and geometrical anionic isomer separations by capillary electrophoresis-electrospray ionization-mass spectrometry, Author is Nogami, Chika; Sawada, Hirokazu, which mentions a compound: 610-09-3, SMILESS is O=C([C@H]1[C@@H](C(O)=O)CCCC1)O, Molecular C8H12O4, Product Details of 610-09-3.

Capillary electrophoresis-electrospray ionization-mass spectrometry (CE-ESI-MS) was applied to the anal. of polar positional and geometrical anionic isomers. Since the studied positional and geometrical anionic isomers have different pKa values, they could be separated by CE-ESI-MS under simple anal. conditions using a bare fused-silica capillary and volatile ammonium acetate buffer after optimizing buffer pH. Ortho-, meta-, para-hydroxybenzoate positional isomers were completely separated on a fused-silica capillary with 20 mM ammonium acetate buffer at pH 10.0, and cis-, trans-cyclohexane dicarboxylate geometrical isomers could be also separated with 20 mM ammonium acetate buffer at pH 4.0. Several anal. parameters affecting ESI-MS sensitivity were also studied. Both running buffer pH and sheath liquid pH had significant effects on the selectivity and the sensitivity on CE-ESI-MS anal. while sheath flow rate and other parameters had little influence. Under optimized conditions, linearity, detection limit, and repeatability of the anal. of hydroxybenzoate isomers were examined, and good results were obtained. The method presented in this paper is a simple, robust, and cost-effective method for simultaneous anal. of positional and geometrical anionic isomers and of other small anionic compounds

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics