Day: April 7, 2022

Fujima, Yoshito; Hirayama, Yoshihiro; Ikunaka, Masaya; Nishimoto, Yukifumi published an article about the compound: Methyl tetrahydrofuran-2-carboxylate( cas:37443-42-8,SMILESS:O=C(C1OCCC1)OC ).Synthetic Route of 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.

To develop a practical scalable approach to (R)-tetrahydrofuran-2-carboxylic acid (I), a chiral building block for furopenem, enantioselective hydrolysis of its esters is explored: When Et (±)-tetrahydrofuran-2-carboxylate (II, 2 M, 288 g/L) is digested by an Aspergillus melleus protease {0.2% (w/v)} in a 1.5 M potassium phosphate buffer (pH 8) for 20 h, enantioselective hydrolysis proceeds with E = 60 to give I in 94.4% ee. On separation from the leftover antipodal (S)-II by partition, I is treated with dicyclohexylamine in Me Et ketone/methanol (5:1) to precipitate the crystalline salt that contains I of >99% ee in 22% overall yield from II.

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

Product Details of 610-09-3. 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 [Ni(cyclam)]2+ and [Ni(R,S-Me6cyclam)]2+ as Linkers or Counterions In Uranyl-Organic Species with cis- and trans-1,2-Cyclohexanedicarboxylate Ligands. Author is Thuery, Pierre; Harrowfield, Jack.

The macrocyclic species [Ni(cyclam)]2+ and [Ni(R,S-Me6cyclam)]2+ were used as addnl. cations in the solvo-hydrothermal synthesis of five uranyl ion complexes with cis- or trans-1,2-cyclohexanedicarboxylic acids (c-1,2-chdcH2 and t-1,2-chdcH2). In the complex [UO2(c-chdc)2Ni(cyclam)(H2O)] (1), dimeric uranyl dicarboxylate subunits are assembled into a two-dimensional (2D) network through axial coordination of NiII to carboxylate groups. Although they involve different isomers, the complexes [(UO2)2(c-chdc)2(c-chdcH)2Ni(cyclam)] (2) and [(UO2)2(t-chdc)2(t-chdcH)2Ni(cyclam)] (3) are very similar, both containing uranyl-based one-dimensional (1D) subunits which are assembled into 2D networks by bridging [Ni(cyclam)]2+ groups. The orientation of the uncoordinated carboxylic group is different in 2 and 3, the layers in 2 being hydrogen bonded to each other through carboxylic acid dimer formation. Using the pure (1R,2R) enantiomer of t-1,2-chdcH2 gives the complex [Ni(cyclam)][(UO2)5(R-t-chdc)3(R-t-chdcH)(O)2(CH3COO)] (4), in which pentanuclear uranyl subunits are assembled into 1D chains by dicarboxylic/-ate ligands in the usual bis(equatorial) chair conformation, another ligand in the divergent bis(axial) conformation uniting these chains into a 2D assembly; the [Ni(cyclam)]2+ ions are simple counterions and are stacked in parallel fashion between the layers. [Ni(R,S-Me6cyclam)][Ni(R,S-Me6cyclam)(H2O)2][(UO2)2(t-chdc)2(O)]2 (5), in which the (1R,2R) enantiomer of t-chdcH2 used has undergone racemization, contains discrete bis(μ3-oxo)-centered tetranuclear uranyl complexes, organized into columns and layers by extensive hydrogen bonding to the counterions. The discoidal shape, available axial coordination sites, and hydrogen bond donor potential of these macrocyclic NiII complexes make them efficient assembling agents in uranyl-organic coordination polymers. As often observed in the presence of d-block metal cations, uranyl luminescence is either completely or partially quenched in complexes 1 and 3, resp.

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

Application In Synthesis of 2-Furoic hydrazide. 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 A simple and sensitive fluorescent sensor platform for Al3+ sensing in aqueous media and monitoring through combined PET and ESIPT mechanisms: practical applications in drinking water and bio-imaging. Author is Aydin, Duygu; Gunay, Ibrahim Berk; Karuk Elmas, Sukriye Nihan; Savran, Tahir; Arslan, Fatma Nur; Sadi, Gokhan; Yilmaz, Ibrahim.

In this study, a novel hydrazide-based compound, (E)-N′-(5-(benzo[d]thiazol-2-yl)-2-hydroxybenzylidene)furan-2-carbohydrazide (probe BOTH, I) was designed, characterized and prepared as a fluorogenic “”turn-on”” sensor for monitoring Al3+ in near-perfect aqueous media. All emission and absorbance spectral studies were performed in HEPES/DMSO (volume/volume, 99.95/0.05, pH = 7.0) media at 25 °C. The quantum yield of probe BOTH increases considerably in the presence of Al3+. Probe BOTH could sense Al3+ at a concentration as low as 6.47 nM. Probe BOTH could sense Al3+ with high sensitivity and selectivity, and a quant. correlation of R2 = 0.9887 in the Al3+ concentration range of 0.0-20.0 equivalent To evaluate the method parameters, a validation study was performed based on different anal. parameters. The formation of complex BOTH-Al3+ (2 : 1 stoichiometry) was confirmed by 1H-NMR titration and MALDI-TOF MS, as well as Job′s methods. pH-Dependent and Benesi-Hildebrand plot studies also supported this proposed sensing mechanism. Besides, the binding mechanism of Al3+ with probe BOTH was further verified by theor. studies. Moreover, probe BOTH could be used for monitoring Al3+ in living-cells and water samples.

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

Recommanded Product: cis-Cyclohexane-1,2-dicarboxylic acid. 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 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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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Recommanded Product: 610-09-3. 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 Nitroaromatic detecting zinc cyclohexyldicarboxylate coordination polymers with a long spanning dipyridyl tethering ligand. Author is LaDuca, Andrew R.; Przybyla, Jack J.; Porta, Angela R.; LaDuca, Robert L..

Four new divalent Zn coordination polymers containing a dianionic cyclohexyldicarboxylate and the long-spanning pillaring dipyridyl ligand bis(4-pyridylmethyl)piperazine (bpmp) were prepared and structurally characterized via single-crystal x-ray diffraction. Significant structural and topol. diversity across the series is evident. {[Zn2(cis-12cdc)2(bpmp)]·6H2O}n (1, cis-12cdc = cis-1,2-cyclohexanedicarboxylate) shows a coordination polymer layer motif with embedded paddlewheel {Zn2(OCO)4} dinuclear units and T6(4)4(4) classification H2O tapes. Using cis-1,2-cyclohex-4-enedicarboxylate (cis-12chedc) afforded [Zn2(cis-12chedc)2(bpmp)(H2O)2]n (2), which manifests a simple yet unusual (6)(648.10) topol. [Zn2(cis-13cdc)2(bpmp)]n (3, cis-13cdc = cis-1,3-cyclohexanedicarboxylate) displays sawtooth (4,4) coordination polymer layers, while [Zn2(trans-14cdc)2(bpmp)]n (4, trans-14cdc = trans-1,4-cyclohexanedicarboxylate) shows a 3-dimensional system of coordination polymer networks with 3-fold interpenetrated 41263pcu topol. The layered phases 1-3 showed capability for the detection of small quantities of nitrobenzene in EtOH suspension.

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

Reference of cis-Cyclohexane-1,2-dicarboxylic acid. 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 Solvolytic reactions of cyclic anhydrides in anhydrous acetic acid. Author is Haddadin, M. J.; Higuchi, T.; Stella, V..

The reversible reactions of several cyclic anhydrides with HOAc to form Ac2O and the corresponding dicarboxylic acid, catalyzed by HClO4 at 25°, were studied. The equilibrium constants calculated from spectral data, were 4.85 × 10-4, 1.08 × 10-1, and 4.6 × 10-1 M for succinic, trans-1,2-cyclohexanedicarboxyllic, and glutaric anhydrides, resp. Maleic, phthalic, and cis-1,2-cyclohexanedicarboxylic anhydrides did not undergo any detectable reaction with HOAc under these conditions, suggesting still higher stability. The reverse rate constants were relatively independent of the structure of the attacking diacid, while the forward rate constants were found to parallel the equilibrium constants The rate-determining step for the forward reaction appears to be the breakdown of the tetrahedral intermediate formed by the attack of HOAc mol. on the protonated cyclic anhydride.

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

Kannan, Damodharan; Naveen, Shivalingegowda; Jagadeesan, Ganapathy; Lokanath, Nerattur Krishnappagowda; Thennarasu, Sathiah published an article about the compound: 2-Furoic hydrazide( cas:3326-71-4,SMILESS:O=C(C1=CC=CO1)NN ).Quality Control of 2-Furoic hydrazide. 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 series of aryl/indolyl substituted 4, 5-dihydro-1H-pyrazole derivatives I [R = 2-benzyloxybenzene, 4-MeSC6H4, 4-ClC6H4, 1-methyl-indolyl; R1 = Ph, 4-MeOC6H4, 4-FC6H4, etc.; Ar = 2-furyl, 4-pyridyl, 4-ClC6H4, etc.] was synthesized via a domino method based on Michael addition mediated cyclization of chalcones and aryl hydrazines. The chalcones were prepared by Wittig reaction in which substituted aromatic aldehydes were treated with stable ylides under eco-friendly ultrasonic cavitation.

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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, Journal of Molecular Structure called 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, which mentions a compound: 3326-71-4, SMILESS is O=C(C1=CC=CO1)NN, Molecular C5H6N2O2, Computed Properties of C5H6N2O2.

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

HPLC of Formula: 3326-71-4. 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 Catalytic synthesis, ADMET, QSAR and molecular modeling studies of novel chalcone derivatives as highly potent antioxidant agents. Author is Prabakaran, G.; Manivarman, S.; Bharanidharan, M..

A series of (E)-3-(3-(5-chlorothiophen-2-yl)-1-(furan-2-carbonyl)-2,3-dihydro-1H-pyrazol-4-yl)-1-(substituted)prop-2-en-1-one derivatives 5a-c was synthesized from the reaction of 3-(5-chlorothiophen-2-yl)-1-(furan-2-carbonyl)-2,3-dihydro-1H-pyrazole-4-carbaldehyde (2) with various substituted acetophenes by the use of TiO2-ZnS in ethanol under reflux conditions. All are structurally supported by IR spectrum and the basic testing and screening, and find that compounds 5a are potential antioxidants for their in vitro-antioxidant activity against DPPH. The results in vitro were compared with the results of the mol. docking, ADMET, QSAR and bioactivity study and it was found that the results were observed in good correlations with in vitro anti-oxidant results in silicon binding affinities. The anal. of mol. dockings revealed the interactions between the synthesized ligands and protein tyrosine kinase (2HCK) amino acid residues and has a strong hydrogen connexion to this enzyme.

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

Zheng, Yan-Zhen; Xue, Wei; Tong, Ming-Liang; Chen, Xiao-Ming; Zheng, Shao-Liang 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 ).Synthetic Route of C8H12O4. 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.

Five new metal-carboxylate chain-based laminated compounds, namely, ∞2[FeII(e,e-trans-1,2-chdc)] (3) (1,2-chdc = cyclohexane-1,2-dicarboxylate), ∞2[NiII(μ-OH2)(e,a-cis-1,2-chdc)] (4), ∞2[CoII(μ-OH2)(1,2-chedc)] (5) (1,2-chedc = cyclohex-1-ene-1,2-dicarboxylate), ∞2[CoII5(μ3-OH)2(OH2)2(1,2-chedc)4] (6), and ∞2[CoII(4-Me-1,2-chdc)] (7) (4-Me-1,2-chdc = trans-4-methylcyclohexane-1,2-dicarboxylate) were hydrothermally synthesized. In these series of magnetic chain-based compounds, 3 and 7 have the same dimeric paddle-wheel M(II)-carboxylate chain as the previously reported compound, ∞2[CoII(trans-1,2-chdc)] (2). However, compound 3 does not behave as a single-chain magnet (SCM) but simply an alternating ferro-antiferro magnetic chain. Compound 4 has the cis conformation of 1,2-chdc ligand, which leads to a uniform aqua-carboxylate-bridged Ni(II) chain. Such a Ni-O chain exhibits strong antiferromagnetic interactions, leading to a diamagnetic ground state. Compound 5 features a corner-sharing triangular chain, or Δ-chain, which is part of a Kagome lattice. However, 5 does not exhibit a spin-frustrated effect but simply spin competition. Compound 6 has a unique pentanuclear CoII cluster, which is further connected by the syn-anti carboxylate into a chain structure. Compound 6 exhibits antiferromagnetic interactions among the Co(II) ions, and no SCM behavior is observed These results might indicate that the dimeric paddle-wheel Co(II)-carboxylate chain is essential in obtaining SCM behavior in this family of compounds Although 2 and 7 have very similar SCM behavior, a.c. magnetic studies show that 7 has a higher energy barrier than that of 2. Such behavior is probably caused by the larger anisotropic energy barrier in 7.

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