Day: April 8, 2022

Electric Literature of C8H12O4. 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: 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. Author is Zheng, Yan-Zhen; Xue, Wei; Zheng, Shao-Liang; Tong, Ming-Liang; Chen, Xiao-Ming.

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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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 heats of hydration and energy contents of cis- and trans-cyclohexane-1,2-dicarboxylic acids, and their primary ions》. Authors are 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).Category: benzisoxazole. Through the article, more information about this compound (cas:610-09-3) is conveyed.

The following values were obtained for the cis- and trans-cyclohexane-1,2-dicarboxylic acids and their ions, resp.: heat of combustion, kg.-cal./mole (constant temperature) 931.9, 929.5; heat of solution + first heat of ionization, -7.49, -6.48; energy content of primary anion in dilute solution, kg.-cal./mole 939.4, 936.0; mol. volume at 0° 126.5, 120.4; second heat of ionization +0.30, +0.24. The first ionization constant of the cis acid increases with rise in temperature, while that of the trans decreases. This leads to the conclusion that the trans ion is more hydrated than the cis ion, although the heat of hydration of the undissociated cis is not measurably greater than that of the trans acid.

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

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Design, Synthesis, and Antifungal Activity of Novel Longifolene-Derived Diacylhydrazine Compounds, published in 2021-04-06, which mentions a compound: 3326-71-4, mainly applied to longifolene diacylhydrazine succinate dehydrogenase antifungal activity mol docking, Electric Literature of C5H6N2O2.

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

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, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands, published in 2011, which mentions a compound: 610-09-3, Name is cis-Cyclohexane-1,2-dicarboxylic acid, Molecular C8H12O4, Application of 610-09-3.

Six ZnII-(e,a-cis-1,2-chdc) complexes, [Zn2(1,2-chdc)2(2,2′-bpy)2(H2O)2]·H2O (1), [{Zn2(1,2-chdc)2(H2O)2(μ-bpa)}·4H2O]n (2), [{Zn2(μ-1,2-chdc)2(μ-4,4′-bpy)}·2CH3OH]n (3), [{Zn2(μ-1,2-chdc)2(μ-bpe)}·2H2O]n (4), [[{Zn2(μ-1,2-chdc)2}n-(μ-bpp)2-{Zn2(μ-1,2-hdc)2(H2O)2}]·CH3CN·2H2O]n (5), and [{Zn(μ-dtp)(μ-1,2-chdc)}2·4·5H2O]n (6) (1,2-chdc = 1,2-cyclohexanedicarboxylate), with different assistant ligands (2,2′-bipyridine (2,2′-bpy), 1,2-bis(4-pyridyl)ethane (bpa), 1,2-bis(4-pyridyl)ethylene (bpe), 1,3-bis(4-pyridyl)propane (bpp), and, 4,4′-bipyridine (4,4′-bpy) and 4,4′-dithiodipyridine (dtp)) were synthesized and their structures were determined Depending on the assistant ligands, the structures and dimensionalities of ZnII-(e,a-cis-1,2-chdc) complexes were varied. Two carboxylates in e,a-cis-1,2-chdc coordinate to ZnII ions with (11) or (10) connectivity. Photoluminescence study of the compounds 1-6 showed that emission spectra of compounds 1, 2, 4, and 5 were observed at 343 nm for 1, 419 nm for 2, 507 nm for 4, 396 nm for 5, resp., while no obvious luminescences were displayed for 3 and 6. Compound 1 catalyzed the transesterification reaction of Ph acetate with methanol, with quant. conversion to Me acetate, under the neutral conditions, while compounds 2-6 showed very slow conversions. The thermal stabilities of these complexes were also examined

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

SDS of cas: 3326-71-4. 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, antioxidant and antitumor activities of some of new cyclobutane containing triazoles derivatives.

Thiosemicarbazides were obtained by the interaction of furan-2-carboxylic acid hydrazide with five different isothiocyanate (RNCS) derivatives By addition of KOH to the reaction medium, 1,2,4-triazoles derivatives I [R = Et, allyl, Ph, benzyl, 4-MeC6H4] were obtained. Compounds I were dissolved in dry acetone containing K2CO3 in the presence of 2-chloro-1-(3-methyl-3-mesitylcyclobutyl)ethanone to give 3,4,5-trisubstituted 1,2,4-triazole sulfanyl compounds II. The structures of the final compounds were confirmed by elemental analyses, FT-IR, 1H-NMR and 13C-NMR. The antioxidant and antitumor properties of the synthesized compounds were also investigated. Three of the triazole derivatives II [R = Ph, benzyl, 4-MeC6H4] displayed good antioxidant and antitumor activity in comparison to the standards

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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, Article, ACS Medicinal Chemistry Letters called Novel Copper(II) Complex with a 4-Acylpyrazolone Derivative and Coligand Induce Apoptosis in Liver Cancer Cells, Author is Nurmamat, Marhaba; Yan, Haili; Wang, Ru; Zhao, Huixin; Li, Yanhong; Wang, Xiaojing; Nurmaimaiti, Kaidirye; Kurmanjiang, Tamasha; Luo, Difang; Baodi, Jumagul; Xu, Guancheng; Li, Jinyu, the main research direction is preparation copper phenlmethylchlorobenzolpyrazolone furoic acidhydrazide complex; crystal structure copper phenlmethylchlorobenzolpyrazolone furoic acidhydrazide complex; anticancer liver cancer copper phenlmethylchlorobenzolpyrazolone furoic acidhydrazide complex.Related Products of 3326-71-4.

A novel pyrazolone-based copper complex [CuL(phen)(CH3OH)][CuL(phen)]·CH3CH2OH·CH3OH (P-FAH-Cu-phen) was synthesized and characterized. The asym. structural unit of P-FAH-Cu-phen was composed of two independent complex units [CuL(phen)(CH3OH)] and [CuL(phen)]:Cu12+ center with six coordination mode and Cu22+ center with five coordination mode. The growth of BEL-<7404≥ cells and H22 cells was significantly inhibited by P-FAH-Cu-phen with IC50 values of 1.175μg/mL and 1.097μg/mL, resp., which were much lower than IC50 of cisplatin for BEL-<7404≥ cells (23.32μg/mL) and H22 cells (27.5μg/mL). P-FAH-Cu-phen induced cell cycle arrest at G2/M and apoptosis in BEL-<7404≥ cells through mitochondria- and endoplasmic reticulum stress-associated pathways. Moreover, P-FAH-Cu-phen significantly suppressed the migration of BEL-<7404≥ cells and the tumor growth in H22 tumor mouse model without severe side effects and improved the survival of tumor mice. The results suggested that P-FAH-Cu-phen might be a potential drug candidate for the treatment of live cancer. Compound(3326-71-4)Related Products of 3326-71-4 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.

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 《Conformation and reactivity. I. Kinetics of the alkaline hydrolysis of the methyl cyclohexanemono- and -dicarboxylate and 4-tert-butylcyclohexanecarboxylates》. Authors are Cavell, E. A. S.; Chapman, N. B.; Johnson, M. D..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).Quality Control of cis-Cyclohexane-1,2-dicarboxylic acid. Through the article, more information about this compound (cas:610-09-3) is conveyed.

The preparation of pure cis- and trans-4-tert-butylcyclohexanecarboxylic acid and their Me esters was described. Heats and entropies of activation for the alk. hydrolysis of these esters in 1:1 dioxane-H2O, of Me cyclohexanecarboxylate in 1:1 and 1:3 dioxane-H2O, and of all the Me H and di-Me cyclohexanedicarboxylates in 1:3 dioxane-H2O were determined by the methods of Frost and Schwemer (CA 46, 6474h) and of Widequist (CA 46, 9954c) where necessary. Since Me trans-4-tert-butylcyclohexanecarboxylate adopted the diequatorial conformation exclusively, the reactivity in hydrolysis of an equatorial methoxycarbonyl group was characterized, also, with less certainty, that of an axial group, which was hydrolyzed at least 17 times more slowly at 30°. The methoxycarbonyl group was apparently more stable in the equatorial than in the axial conformation. The conformations of the various Me H and di-Me cyclohexanedicarboxylates were discussed in the light of the kinetics of their hydrolyses, and conformational, electrostatic, and primary steric effects in the hydrolyses were elucidated.

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

Doherty, George A.; Yang, Ginger X.; Borges, Edite; Chang, Linda L.; MacCoss, Malcolm; Tong, Sharon; Kidambi, Usha; Egger, Linda A.; McCauley, Ermenegilda; Van Riper, Gail; Mumford, Richard A.; Schmidt, John A.; Hagmann, William K. published an article about the compound: Methyl tetrahydrofuran-2-carboxylate( cas:37443-42-8,SMILESS:O=C(C1OCCC1)OC ).Formula: C6H10O3. 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.

A series of substituted tetrahydrofuroyl-1-phenylalanine derivatives was prepared and evaluated as VLA-4 antagonists. Substitution of the α carbon of the THF with aryl groups increased the specificity for VLA-4 vs. α4β7 while amide substitution increased the potency of the series without increasing the specificity. Substitution of the β carbon of the THF with keto or amino groups slightly improved the specificity for VLA-4 vs. α4β7 but with a significant loss in binding affinity for VLA-4.

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

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 Chiral ammonium hypoiodite salt-catalyzed enantioselective oxidative cycloetherification to 2-acyl tetrahydrofurans, published in 2016, which mentions a compound: 37443-42-8, Name is Methyl tetrahydrofuran-2-carboxylate, Molecular C6H10O3, Computed Properties of C6H10O3.

Chiral quaternary ammonium hypoiodite salt-catalyzed enantioselective oxidative cycloetherification of δ-hydroxyketone derivs was achieved . The corresponding 2-acyl tetrahydrofurans were obtained in high chem. yield with high enantioselectivity.

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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 《Reactions of furan compounds. IV. High-temperature decomposition of the vapors of tetrahydrofuronitrile and Me tetrahydrofuroate to give 2,3-dihydrofuran and cyclopropanealdehyde》. Authors are Wilson, Christopher L..The article about the compound:Methyl tetrahydrofuran-2-carboxylatecas:37443-42-8,SMILESS:O=C(C1OCCC1)OC).SDS of cas: 37443-42-8. Through the article, more information about this compound (cas:37443-42-8) is conveyed.

Tetrahydrofuramide (I) is not dehydrated by COCl2 at high temperatures At 360-400° over silica gel, I gives a mixture of tetrahydrofuronitrile (II) and 2,3-dihydrofuran (III), together with some HCN; the yield of II at 290° was 74%, at 310° 55%, and at 330° 40% (yields are based on consumption, see Part III); over Na phosphate (pumice impregnated with 120 g. NaH2PO4 and 15 cc. H3PO4 in 85 cc. H2O and dried by heating slowly to 300°) at 400° the yield of II was 90%, consumption of I 50-85%. With N as carrier gas (2 l./hr.), 70% of II was recovered when passed over earthenware rings at 450°; 10% was impure III. Silica gel at 500° gives 20% of tetrahydrofuran (IV)-III mixture (48% of III), 10% of unchanged II and 10% of a compound (V), which may be CH2.CH2.C:CHCN, b. 130-40°. Na phosphate at 500° gives HCN, only a little III + IV and mainly cyclopropanecarboxaldehyde (VI), b14 42-4°; 2,4-dinitrophenylhydrazone, orange-red, m. 173-5°; p-nitrophenylhydrazone, golden-yellow, m. 129-32°; dimedon derivative, m. 160-2°. NH4 tetrahydrofuroate (aqueous solution containing an excess of NH3) over earthenware rings gives an equimol. mixture of the free acid and I; over silica gel at 500-600° V and II were formed; over Na phosphate, the temperature and carrier gas (N, CO2) appeared to have little influence on the results; between 450-550° there resulted 20-30% of a product b. 45-90° containing MeOH, III, and VI; over silica gel at 375°, the products were III and PrCHO (2,4-dinitrophenylhydrazone, orange-brown, m. 120-5°); at 400°, the ester gives 30% of a liquid containing some III and VI. VI was prepared in about 20% yield from Cl(CH2)3CN and SnCl2 in ether (saturated with HCl).

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