Tag: M.W:100-200

Name: Nickel(ii)fluoridetetrahydrate. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Nickel(ii)fluoridetetrahydrate, is researched, Molecular F2H8NiO4, CAS is 13940-83-5, about MF2 vibrations and librations of water molecules in the series MF2 · 4H2O (M = iron, cobalt, nickel or zinc). Author is Swanepoel, J.; Heyns, A. M..

The IR absorption spectra of the series MF2·4H2O (M = Fe, Co, Ni, or Zn) and of the resp. deuterates were recorded at 296 K and ∼100 K in the 1200-1400 cm-1 wavenumber region. Using the known ZnF2·4H2O structure as a model, the number of IR active librations and MF2 vibrations was predicted with the aid of a group theor. treatment. The librations were distinguished from the MF2 and M-O vibrations and assigned, using isotopic ratios and correlations between the unit cell volumes, the uncoupled O-H and O-D stretch vibrations of HDO, and the twisting libration. The six librations are assigned to types of water mols. with low symmetry and with different hydrogen bond strengths, and are compatible with an orthorhombic Pca21 structure. The ν1 and ν3 intramol. MF2 vibrations are assigned, using ZnF2·4H2O crystal data and matrix-isolated ν1 and ν3 (ν1,3) values as guide. Shifts of ν1,3 and ν1/ν3 relative to the matrix-isolated values suggest smaller M-F bond lengths. The shifts in the values of ν1,3 and ν1/ν3 upon deuteration and lowering of the temperature indicate smaller M-F bond lengths and F-M-F angles.

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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: 13940-83-5, is researched, Molecular F2H8NiO4, about Influence of HF2- geometry on magnetic interactions elucidated from polymorphs of the metal-organic framework [Ni(HF2)(pyz)2]PF6 (pyz = pyrazine), the main research direction is nickel pyrazine bifluoride coordination polymer preparation heat capacity; magnetic exchange entropy nickel pyrazine bifluoride coordination polymer; optimized mol structure nickel pyrazine bifluoride coordination polymer; crystal structure nickel pyrazine bifluoride metal organic framework.Name: Nickel(ii)fluoridetetrahydrate.

A tetragonal polymorph of [Ni(HF2)(pyz)2]PF6 (designated β) is isomorphic to its SbF6-congener at 295 K and features linear Ni-FHF-Ni pillars. Enhancements in the spin exchange (JFHF = 7.7 K), Neel temperature (TN = 7 K), and critical field (Bc = 24 T) were found relative to monoclinic α-PF6. DFT reveals that the HF2- bridges are significantly better mediators of magnetic exchange than pyz (Jpyz), where JFHF ≈ 3Jpyz, thus leading to quasi-1D behavior. Spin d. resides on all atoms of the HF2- bridge whereas N-donor atoms of the pyz ring bear most of the d.

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Buendia, Julien; Darses, Benjamin; Dauban, Philippe published an article about the compound: 1-(Bromomethyl)-4-ethylbenzene( cas:57825-30-6,SMILESS:CCC1=CC=C(CBr)C=C1 ).Reference of 1-(Bromomethyl)-4-ethylbenzene. 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:57825-30-6) through the article.

A new tandem C-N and C-C bond-forming reaction has been achieved through RhII/Pd0 catalysis. The sequence combines a catalytic C(sp3)-H nitrene insertion with a palladium-catalyzed C-C cross-coupling to afford complex nitrogenous mols., e.g., I, with very good yields and complete stereoselectivity. The sequence first involves an iodine(III) oxidant, then the in situ generated iodine(I) byproduct is used as a coupling partner. The synthetic value of iodoarenes produced in trivalent iodine reagent mediated oxidations has been demonstrated.

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Recommanded Product: 13940-83-5. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: Nickel(ii)fluoridetetrahydrate, is researched, Molecular F2H8NiO4, CAS is 13940-83-5, about Preparation of high-purity nickel compound from Ni-containing waste materials. Author is Gu, Heng; Li, Xingying; Zhu, Jianchun; Zhou, Jinyun.

The process conditions for the preparation of high-purity Ni compounds (NiSO4.6H2O, NiF2.4H2O, Ni(Ac)2.4H2O, and NiO) from Ni-containing waste carbonate by H2SO4 leaching were studied, and a technol. process was proposed. The principle for the purification and extraction of Ni solution in the system of H2SO4 was discussed with phase diagram. The recovery of Ni was 92%, and the quality of the product met the national standard

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Recommanded Product: 1-(Bromomethyl)-4-ethylbenzene. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Structure-Affinity Relationships and Structure-Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists. Author is Xia, Lizi; Burger, Wessel A. C.; van Veldhoven, Jacobus P. D.; Kuiper, Boaz J.; van Duijl, Tirsa T.; Lenselink, Eelke B.; Paasman, Ellen; Heitman, Laura H.; IJzerman, Adriaan P..

We expanded on a series of pyrido[2,1-f]purine-2,4-dione derivatives as human adenosine A3 receptor (hA3R) antagonists to determine their kinetic profiles and affinities. Many compounds showed high affinities and a diverse range of kinetic profiles. We found hA3R antagonists with very short residence time (RT) at the receptor (2.2 min for II 5) and much longer RTs (e.g., 376 min for I or 391 min for 31). Two representative antagonists (I) and (II) were tested in [35S]GTPγS binding assays, and their RTs appeared correlated to their (in)surmountable antagonism. From a kon-koff-KD kinetic map, we divided the antagonists into three subgroups, providing a possible direction for the further development of hA3R antagonists. Addnl., we performed a computational modeling study that sheds light on the crucial receptor interactions, dictating the compounds’ binding kinetics. Knowledge of target binding kinetics appears useful for developing and triaging new hA3R antagonists in the early phase of drug discovery.

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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 Optimization of Potent and Selective Quinazolinediones: Inhibitors of Respiratory Syncytial Virus That Block RNA-Dependent RNA-Polymerase Complex Activity, published in 2014-12-26, which mentions a compound: 57825-30-6, Name is 1-(Bromomethyl)-4-ethylbenzene, Molecular C9H11Br, Quality Control of 1-(Bromomethyl)-4-ethylbenzene.

A quinazolinedione-derived screening hit 2 was discovered with cellular antiviral activity against respiratory syncytial virus (CPE EC50 = 2.1 μM), moderate efficacy in reducing viral progeny (4.2 log at 10 μM), and marginal cytotoxic liability (selectivity index, SI ∼ 24). Scaffold optimization delivered analogs with improved potency and selectivity profiles. Most notable were compounds 15 and 19 (EC50 = 300-500 nM, CC50 > 50 μM, SI > 100), which significantly reduced viral titer (>400,000-fold), and several analogs were shown to block the activity of the RNA-dependent RNA-polymerase complex of RSV.

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COA of Formula: C3H12Cl2N2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: (S)-Propane-1,2-diamine dihydrochloride, is researched, Molecular C3H12Cl2N2, CAS is 19777-66-3, about Synthesis of dexrazoxane. Author is Yu, Caixia; Yang, Yihong; Zhang, Heng; Yang, Jianshe.

Dexrazoxane, a cardiac medicine, was synthesized in 35.7% overall yield starting from racemic 1,2-diaminopropane. The resolution of l,2-diaminopropane with D-(-)-tartaric acid followed by reaction with potassium chloride resulted in (S)-1,2-diaminopropane dihydrochloride, which was further converted into the title compound in two steps. The structure was confirmed with 1H NMR and IR.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: Nickel(ii)fluoridetetrahydrate, is researched, Molecular F2H8NiO4, CAS is 13940-83-5, about Chemical shifts observed in Lα X-ray emission lines of elements in the range of 26 ≤ Z ≤ 30 in their halogen compounds.Reference of Nickel(ii)fluoridetetrahydrate.

The chem. shifts and full widths at half maximum intensity of Lα x-ray emission lines of elements in the range 26 ≤ Z ≤ 30 were studied in their halogen compounds using a wavelength-dispersive X-ray fluorescence spectrometry. The chem. shifts for F based compounds are higher than that of Cl and Br based compounds

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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 Design, synthesis, and biological evaluation of novel triazole derivatives as inhibitors of cytochrome P450 14α-demethylase, published in 2009-05-31, which mentions a compound: 57825-30-6, Name is 1-(Bromomethyl)-4-ethylbenzene, Molecular C9H11Br, Related Products of 57825-30-6.

Based on the results of computational docking to the active site of the cytochrome P 450 14α-demethylase (CYP51), a series of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols I (R = H, 2-F, 2,4-Cl2, 4-MeO2C, PhO2C, etc.) as analogs of fluconazole were designed, synthesized, and evaluated as antifungal agents. The MIC80 values indicate that compounds I (R = H, 2-F, 4-Me, etc.) exhibited higher activity against nearly all fungi tested except Aspergillus fumigatus than fluconazole, while I (R = COOR1, R1 = Me, Et, iso-Pr, COOAr, etc.; Ar = Ph, 3-O2NC6H4, 4-ClC6H4, 2-MeO2CC6H4, etc.) showed no activity or only moderate activity against all fungi tested. Noticeably, the MIC value of I (R = H, 2-F, 4-Cl) is 64 times lower than that of fluconazole against Microsporum gypseum in vitro. And I (R = H, 2-F, CO2Et) showed 128 times higher activity (with the MIC80 value of 0.0039 μg/mL) than that of fluconazole against Candida albicans and also showed higher activity than that of the other pos. controls. Computational docking experiments indicated that the inhibition of CYP51 involves a coordination bond with iron of the heme group, the hydrophilic H-bonding region, the hydrophobic region, and the narrow hydrophobic cleft. In addition, the activity of the compounds would be enhanced when the side chains were shorter.

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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: 19777-66-3, is researched, Molecular C3H12Cl2N2, about Vitamin B12 Mimics Having a Peptide Backbone and Tuneable Coordination and Redox Properties, the main research direction is vitamin B12 mimic preparation redox dissociation equilibrium; cobalt corrin preparation redox dissociation equilibrium.Electric Literature of C3H12Cl2N2.

The coordination chem. and electrochem. properties of vitamin B12 mimics were studied. The model complexes have a peptide linkage between the corrin macrocycle and the axially coordinated dimethylbenzimidazole base. The dimethylbenzimidazole dissociation and Co(III)/Co(II) redox equilibrium were studied in relation to the peptide linking groups.

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