Day: April 20, 2022

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

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

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

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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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

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

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 Platinum(II) and palladium(II) complexes analogous to oxaliplatin with different cyclohexyldicarboxylate isomeric anions and their in vitro antitumour activity. Structural elucidation of [Pt(C2O4)(cis-dach)]. Author is Al-Allaf, Talal A. K.; Rashan, Luay J.; Steinborn, Dirk; Merzweiler, Kurt; Wagner, Christoph.

Several new PtII and PdII complexes bearing the enantiomerically pure (1R,2R)-(-)-1,2-cyclohexanediamine (dach) ligand, [MX2{(1R,2R)-dach}], where M = Pt or Pd, X2 = cis- or trans- or (1R,2R)-1,2-cyclohexyldicarboxylate anions, were synthesized and characterized physicochem. and spectroscopically. These complexes were screened in vitro against the three tumor cell lines K562, HeLa and L929, and the results obtained were compared with those of the reference standards, cisplatin, carboplatin and oxaliplatin; the known antitumor drugs. The single crystal x-ray structure determination of the [Pt(C2O4)(cis-dach)] complex is discussed and compared with that of oxaliplatin, [Pt(C2O4){(1R,2R)-dach}].

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Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Quality Control of 2-Furoic hydrazide. 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, crystal structures, and characterization of three zinc complexs with different acylhydrazone-type schiff base ligands. Author is Xie, Qing-fan; Chen, Yan-min.

Three zinc complexes, namely [Zn(Lss)(phen)(DMF)] (1), {[Zn (HLdis)]2·2CH3OH}n (2) and [Zn(Baf)2]·CH3OH (3), formed from different acylhydrazone-type Schiff base ligands were synthesized by using different methods, and the compounds were characterized by IR, UV-Vis spectra and TGA. The X-ray diffraction analyses revealed that 1 and 3 crystallized in the triclinic space group P1̅ while 2 in monoclinic system space group P21/n. In 1 and 3, coordination number of the Zn (II) was six, and the centric atom located in a distorted octahedron geometry, while in 2 Zn (II) was five-coordination in a distorted square-pyramidal geometry. The precursor of 3 was pyrazoline derivative with the formula C15H14N2O3 (Pzl) crystallizing in monoclinic system space group P21/c. Due to the coordination of Zn (II) causing the intramol. rearrangement of Pzl, the ring open product HBaf in the form of an acylhydrazone structure coordinated with Zn (II) to form complex 3.

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

Reference of 2-Furoic hydrazide. 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: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about A transition metal-free approach towards synthesis of β-carboline tethered 1,3,4-oxadiazoles via oxidative C-O bond formation. Author is Singh, Dharmender; Tiwari, Sandip Kumar; Singh, Virender.

An efficient protocol were developed for one-pot synthesis of biol. interesting β-carboline substituted 1,3,4-oxadiazoles via an I2-assisted oxidative C-O bond formation strategy. This metal-free sequential approach was found to be compatible with diversely substituted 1-formyl β-carbolines and aromatic as well as aliphatic hydrazides, providing access to a variety of multifunctional β-carboline linked 1,3,4-oxadiazole derivatives in good to excellent yields. The methodol. was found to be applicable to gram scale synthesis of β-carboline substituted 1,3,4-oxadiazole derivatives Addnl., β-carboline C1 linked 2-amino-1,3,4-oxadiazoles and bis-1,3,4-oxadiazoles were also synthesized using the same strategy.

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

Application In Synthesis of 2-Furoic hydrazide. 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 Direct Catalytic Symmetrical, Unsymmetrical N,N-Dialkylation and Cyclization of Acylhydrazides Using Alcohols. Author is Thiyagarajan, Subramanian; Gunanathan, Chidambaram.

Herein, direct N,N-dialkylation of acylhydrazides using alcs. is reported. This catalytic protocol provides one-pot synthesis of both sym. and unsym. N,N-disubstituted acylhydrazides using an assortment of primary and secondary alcs. with remarkable selectivity and excellent yields. Interestingly, the use of diols resulted in intermol. cyclization of acylhydrazides, and such products are privileged structures in biol. active compounds Water is the only byproduct, which makes this catalytic protocol sustainable and environmentally benign.

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