Tag: M.W:100-200

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.Keough, T. researched the compound: cis-Cyclohexane-1,2-dicarboxylic acid( cas:610-09-3 ).Reference of cis-Cyclohexane-1,2-dicarboxylic acid.They published the article 《Probing molecular structure by the chemical resolution of hydrogen migrations》 about this compound( cas:610-09-3 ) in Organic Mass Spectrometry. Keywords: mass spectra chem ionization methylation; stereoisomerism mass spectra cyclohexanedicarboxylic acid; regioisomerism mass spectra hydroxybenzoic acid. We’ll tell you more about this compound (cas:610-09-3).

MeCl chem.-ionization mass spectroscopy, involving a methylation technique based on the chem. resolution of H migrations, gives ionic fragments which differentiate cis and trans isomers. The method differentiates 1,2-cyclohexanedicarboxylic acids but fails (as do protonation methods) to differentiate 1,2-cyclohexanediols. The utility of methylation in conjunction with mass spectra/mass spectra techniques in distinguishing the regioisomerism of HOC6H4CO2H is discussed.

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

Delben, F.; Crescenzi, V. published an article about the compound: cis-Cyclohexane-1,2-dicarboxylic acid( cas:610-09-3,SMILESS:O=C([C@H]1[C@@H](C(O)=O)CCCC1)O ).HPLC of Formula: 610-09-3. 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:610-09-3) through the article.

Potentiometric, calorimetric, and dilatometric data on the ionization of several saturated dicarboxylic acids in water at 25° are reported. A correlation is attempted between structure and thermodn. evidences for the two dissociation stages of the diacids considered, in particular in terms of the propensity toward intramol. H bond formation of some singly ionized species.

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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 configuration of polymethylenedicarboxylic acids. I. The dissociation constants of the cyclohexanedicarboxylic acids》. Authors are Kuhn, Richard; 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).HPLC of Formula: 610-09-3. Through the article, more information about this compound (cas:610-09-3) is conveyed.

The 1st and 2nd dissociation constants for the cyclohexanedicarboxylic acids in water and in 50% MeOH are given as follows (-log K, -log K2 and K1/K2, resp.): In H2O: o-cis, 4.34 (19°), 6.76 (19°), 267; o-trans, 4.18 (18°), 5.93 (19°), 56; m-cis, 4.10 (16°), 5.46 (16°), 23; m-trans, 4.31 (19°), 5.73 (19°), 26; p-cis, 4.44 (20°), 5.79 (19°), 22; p-trans, 4.18 (16°), 5.42 (19°), 17. In 50% MeOH: o-cis, 5.26 (18°), 8.20 (18°), 885; o-trans, 5.38 (18°), 7.31 (18°), 85; m-cis, 5.25 (17°), 6.83 (17°), 38; m-trans, 5.48 (19°), 7.40 (19°), 83; p-cis, 5.59 (19°), 7.15 (19°), 36; p-trans, 5.32 (18°), 6.81 18°), 30. The configurations of the various isomeric forms of the hexahydrophthalic acids are graphically presented.

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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, Article, Journal of Asian Natural Products Research called Design and synthesis of 7-diethylaminocoumarin-based 1,3,4-oxadiazole derivatives with anti-acetylcholinesterase activities, Author is Yu, Xiang; Zhao, You-Fang; Huang, Guo-Juan; Chen, Ya-Fang, which mentions a compound: 3326-71-4, SMILESS is O=C(C1=CC=CO1)NN, Molecular C5H6N2O2, Category: benzisoxazole.

Twelve novel 7-diethylaminocoumarin-based 1,3,4-oxadiazole derivatives I [R = n-Bu, 2-thienyl, Ph, etc.] were synthesized via iodine-mediated oxidative cyclization and confirmed by 1H NMR, 13C NMR and HRMS. The synthesized derivatives I were tested against in-vitro acetylcholinesterase inhibitory activity and results showed that compounds I [R = 4-ClC6H4, 4-BrC6H4] exhibited moderate inhibitory activities with 69.19% and 65.06%, resp. The preliminary structure-activity relationships revealed that introduction of halogen atom on the para-position of Ph of compounds I could enhance their activities. Mol. docking study suggested that compound I [R = ClC6H4] possessed an optimal docking pose with interactions inside AChE.

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

Application of 37443-42-8. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Methyl tetrahydrofuran-2-carboxylate, is researched, Molecular C6H10O3, CAS is 37443-42-8, about A Powerful Chiral Phosphoric Acid Catalyst for Enantioselective Mukaiyama-Mannich Reactions. Author is Zhou, Fengtao; Yamamoto, Hisashi.

A new BINOL-derived chiral phosphoric acid bearing 2,4,6-trimethyl-3,5-dinitrophenyl substituents at the 3,3′-positions was developed. The utility of this chiral phosphoric acid is demonstrated by a highly enantioselective (ee up to >99 %) and diastereoselective (syn/anti up to >99:1) asym. Mukaiyama-Mannich reaction of imines with a wide range of ketene silyl acetals. Moreover, this method was successfully applied to the construction of vicinal tertiary and quaternary stereogenic centers with excellent diastereo- and enantioselectivity. Significantly, BINOL-derived N-triflyl phosphoramide constitutes a complementary catalyst system that allows the title reaction to be applied to more challenging imines without an N-(2-hydroxyphenyl) moiety.

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

SDS of cas: 3326-71-4. 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: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Mononuclear and binuclear dioxidomolybdenum(VI) complexes of ONO appended aroylhydrazone: Crystal structures, interaction energy calculation and cytotoxicity. Author is Kuriakose, Daly; Kurup, M. R. Prathapachandra.

Mono- and binuclear cis-MoO2 complexes (1-3) [MoO2(ISF)D] (D = H2O 1, DMSO 2 and 4,4′-bipyridine 3; ISF = 3,5-diiodosalicyaldehyde-2-furoichydrazone) were synthesized and fully characterized by different physicochem. methods. The mol. structures were confirmed unambiguously by single crystal x-ray diffraction studies. The octahedral geometry around the Mo(VI) central atom is satisfied by O, N, O donor atoms of dideprotonated dianionic hydrazone moiety, two oxido oxygens and O/N atoms of the coordinated solvent mols. The asym. unit of complexes 1 and 2 contains one mol. whereas complex 3 contains only half of the mol. The 4,4′-bipyridine mol. acts as a linker that links the two asym. MoO2D moieties to form the binuclear dioxidomolybdenum(VI) in complex 3 with Mo···Mo nonbonding distance of 12.01(10) Å. The relevance of H bonding and nonbonding interactions in the construction of supramol. architectures were studied. The upshots of single crystal studies were reproduced with the aid Hirshfeld surface studies. The pre-eminence of dispersion energy component over other components was established by interaction energy calculations and the energy framework anal. The average interaction energy values for complexes 2 and 3 are -282.3 and -228.3 kJ mol-1, resp. Also the in vitro cytotoxicity of all the synthesized compounds was evaluated against lymphoma ascites cell line.

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

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.Category: pyridine-derivatives. The article 《Zinc(II) and cadmium(II) complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and cyclohexanedicarboxylate ligands: Synthesis, structure and property》 in relation to this compound, is published in Polyhedron. Let’s take a look at the latest research on this compound (cas:610-09-3).

Eight new coordination polymers Zn(L)(cis-1,2-CHDA)| (1), Zn(L)(trans-1,3-CHDA)|·2.5H2O (2), Zn(L)(cis-1,3-CHDA)|·H2O (3), Cd(L)(cis-1,2-CHDA)|·3H2O (4), Cd2(L)2(cis-1,2-CHDA)2|·3H2O (5), Cd(L)(cis-1,3-CHDA)|·H2O (6), Cd(L)(cis-1, 4-CHDA)|·5H2O (7) and Cd(L)(cis-1,4-CHDA)| (8) were synthesized by reactions of corresponding metal salt with 1,3-di(1H-imidazol-4-yl)benzene (L) and different carboxylic acids such as 1,2-cyclohexanedicarboxylic acid (1,2-H2CHDA), 1,3-cyclohexanedicarboxylic acid (1,3-H2CHDA) and 1,4-cyclohexanedicarboxylic acid (1,4-H2CHDA), resp. The results of crystal structure anal. revealed that 4, 7 and 8 are chains, 1, 3, 5 and 6 are (3)-connected 2D networks with Point (Schlaefli) symbol of (63), while 2 is a (3,3)-connected 2D network with Point (Schlaefli) symbol of (44,62). Thermal stability and photoluminescence of the complexes were investigated. Furthermore, DFT calculations were carried out on 2-5, and 7 and 8 to discuss the temperature dependent reaction of the complexes.

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

Safety 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 Synthesis of mono-acylation piperazine compounds.

1-(2-Furoyl)piperazine (90.6%) and 1-(terahydro-2-furoyl)piperazine were synthesized by the esterification of 2-furoic acid and 2-tetrahydrofuroic acid with methanol, and then amidation with piperazine, resp. The structures were characterized by 1H NMR and IR.

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

Formula: C5H6N2O2. 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: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Kinetic and mechanistic analysis of oxidation of 2-furoic hydrazide by hexachloroirradate(IV) in a wide pH range. Author is Yao, Haiping; Tian, Hongwu; Xu, Liyao; Xia, Yanqing; Zhou, Li; Liu, Chunli; Shi, Tiesheng.

Oxidation of 2-furoic hydrazide (FH) by hexachloroiridate(IV) ([IrCl6]2-) was studied kinetically in a wide pH range in aqueous solution of 1.0 M ionic strength. The oxidation reaction followed well-defined second-order kinetics: – d[IrCl62-]/dt = k'[FH]tot[IrCl62-], where [FH]tot denotes the total concentration of FH and k’ stands for the observed second-order rate constants The established k’-pH profile displays that k’ increases drastically with pH and a plateau region exists between pH 4 and 6. A stoichiometric ratio of Δ[FH]tot/Δ[IrCl62-] = 1/4 was revealed by spectrophotometric titrations 1H NMR spectroscopic studies indicated that FH was cleanly oxidized to 2-furoic acid. The kinetic data suggest a reaction mechanism in which all the three protolysis species of FH react with [IrCl6]2- in parallel, forming the rate-determining steps. Two stabilized hydrazyl radicals are generated in the rate-determining steps, in which a single electron is transferred to [IrCl6]2-. The two hydrazyl radicals react rapidly in consecutive steps requiring 3 mol of Ir(IV) to form 2-furoic acid as the final product. Rate constants of the rate-determining steps were deduced through a simulation of the rate expression to the k’-pH dependency data. Values of these rate constants demonstrate that the three protolysis species of FH have a huge reactivity span, changing by about 109 times toward reduction in [IrCl6]2- and that FH can be readily oxidized in neutral and basic media. Rapid scan spectra and the measured activation parameters suggest that an outer-sphere electron transfer is probably taking place in each of the rate-determining steps. This is the first kinetic study on the oxidation reactions of FH and provides concurrently the protolysis constants of FH (pKa1 = 3.04 ± 0.08 and pKa2 = 11.6 ± 0.1) at 25.0 °C and 1.0 M ionic strength.

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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: cis-Cyclohexane-1,2-dicarboxylic acid( cas:610-09-3 ) is researched.Synthetic Route of C8H12O4.Chandramalar, A. V. M.; Lim, Y. Y.; Leong, Y. K. published the article 《The effects of cis-trans configuration of cyclohexane multi-carboxylic acids on colloidal forces in dispersions: steric, hydrophobic and bridging》 about this compound( cas:610-09-3 ) in Colloids and Surfaces, A: Physicochemical and Engineering Aspects. Keywords: configuration effect cyclohexanecarboxylic acid zirconia colloidal force; yield stress pH zirconia cyclohexanecarboxylic acid configuration effect. Let’s learn more about this compound (cas:610-09-3).

The effects of cis- and trans-1,2-, trans-1,4-cyclohexanedicarboxylic acid, 95% cis-1,3,5-cyclohexane tricarboxylic acid and cis-1,2,3,4,5,6-cyclohexanehexacarboxylic acid on the yield stress-pH behavior of concentrated ZrO2 dispersions are reported. Adsorbed cis-1,2,3,4,5,6-cyclohexanehexacarboxylic acid imparts predominantly steric interactions. It forms a steric barrier keeping the interacting particles apart. Adsorbed cis- and trans-1,2 increase the maximum yield stress and this was attributed to a hydrophobic force resulting from the part of the cyclohexane ring sticking out into the solution which is devoid of charged or hydrophilic group. Adsorbed trans-1,4 increases the maximum yield stress by ≥3-fold and its configuration favors strong bridging interaction with an adjacent particle. Predominantly, cis-1,3,5 also increases the maximum yield stress but only by 60% at the same additive concentration This was attributed to a smaller degree of bridging.

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