Month: April 2022

Quality Control of (S)-1-(Dimethylamino)propan-2-ol. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (S)-1-(Dimethylamino)propan-2-ol, is researched, Molecular C5H13NO, CAS is 53636-17-2, about Fluoride ion-catalyzed reduction of aldehydes and ketones with hydrosilanes. Synthetic and mechanistic aspects and an application to the threo-directed reduction of α-substituted alkanones. Author is Fujita, Makoto; Hiyama, Tamejiro.

Reduction of aldehydes and ketones with hydrosilanes proceeded in the presence of a catalytic amount of Bu4NF or tris(diethylamino)sulfonium difluorotrimethylsilicate in aprotic polar solvents under mild conditions. A significant isotope effect (kH/kD = 1.50) was observed in competitive reduction of acetophenone with HSiMe2Ph and DSiMe2Ph. The reaction was first order in the concentration of HMPA. Reduction of 2-methylcyclohexanone gave cis-2-methylcyclohexanol with selectivities up to 95%. The kinetic and stereochem. results suggest that a hexavalent fluorosilicate [HSiR3F(HMPA)]- is involved. α-Alkoxy (acyloxy or dimethylamino) ketones were transformed to threo alcs. in high diastereoselectivities. The reduction was also applied to α-methyl-β-oxo amides, RCOCHMeCONR12, to afford the corresponding threo alcs. in >98% selectivity. The threo selectivity is explained in terms of the Felkin-Anh model in which interaction of carbonyl oxygen with a countercation is ideally suppressed. The threo-directed reduction was applied to (R)-1-phenyl-4-(2-tetrahydropyranyloxy)-1-penten-3-one and N-(2-benzoylpropanoyl)piperidine. The resulting threo alcs. were resp. converted into (2R,3S)-2,3-(cyclohexylidenedioxy)butanal, a key intermediate of daunosamine synthesis, and into a pharmacol. useful compound, threo-N-(3-hydroxy-2-methyl-3-phenylpropyl)piperidine.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

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: 18583-60-3, is researched, Molecular C9H10BKN6, about New Alkyl Organo Complexes of Ruthenium: X-ray Molecular Structure of a [Hydridotris(pyrazolyl)borato]methylruthenium Complex, [RuTp*(CH3)(cod)] (Tp* = Hydridotris(3,5-dimethylpyrazolyl)borate, cod = 1,5-Cyclooctadiene), Containing an Unusual Three-Center B(μ-H)Ru Bond, the main research direction is crystal structure ruthenium pyrazolylborato cod methyl; mol structure ruthenium pyrazolylborato cod methyl; ruthenium alkyl dipyrazolylmethane pyrazolylborato cod preparation; homoscorpionate ruthenium alkyl pyrazolylborato preparation structure.Name: Potassiumtris(1-pyrazolyl)borohydride.

The reaction of [RuCl2(cod)(bpzm)] (cod = 1,5-cyclooctadiene, bpzm = bis(pyrazol-1-yl)methane) with MeMgCl gives [RuMeCl(cod)(bpzm)]. This complex reacts with AgCF3SO3, affording [RuMe(CF3SO3)(cod)(bpzm)] (3) and AgCl. [RuTpMe(cod)] (4) and [RuTp*Me(cod)] (5) were prepared from the reaction of 3 with KTp (Tp = hydridotris(pyrazolyl)borate) and KTp* (Tp* = hydridotris(3,5-dimethylpyrazolyl)borate), resp. Compound 5 was characterized by x-ray diffraction. The mol. shows unusual coordination of the hydridotris(3,5-dimethylpyrazolyl)borate ligand, where a three-center B(μ-H)Ru bond was found.

From this literature《New Alkyl Organo Complexes of Ruthenium: X-ray Molecular Structure of a [Hydridotris(pyrazolyl)borato]methylruthenium Complex, [RuTp*(CH3)(cod)] (Tp* = Hydridotris(3,5-dimethylpyrazolyl)borate, cod = 1,5-Cyclooctadiene), Containing an Unusual Three-Center B(μ-H)Ru Bond》,we know some information about this compound(18583-60-3)Name: Potassiumtris(1-pyrazolyl)borohydride, but this is not all information, there are many literatures related to this compound(18583-60-3).

Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Application of 16004-15-2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-(Bromomethyl)-4-iodobenzene, is researched, Molecular C7H6BrI, CAS is 16004-15-2, about Cu-catalyzed N-3-Arylation of Hydantoins Using Diaryliodonium Salts. Author is Neerbye Berntsen, Linn; Nova, Ainara; Wragg, David S.; Sandtorv, Alexander H..

A general Cu-catalyzed, regioselective method for the N-3-arylation of hydantoins I (R = R1 = H, Me, Ph; R2 = H, Me), (R)-5-methylhydantoin and (S)-Tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione is described. The protocol utilizes aryl(trimethoxyphenyl)iodonium tosylate [2,4,6-(OCH3)3C6H2IR3]+[4-CH3C6H4SO3]- (R3 = Ph, 2-fluorophenyl, 2,3-dihydro-1-benzofuran-5-yl, etc.) as the arylating agent in the presence of triethylamine and a catalytic amount of a simple Cu-salt. The method is compatible with structurally diverse hydantoins I and operates well with neutral aryl groups or aryl groups bearing weakly donating/withdrawing elements. It is also applicable for the rapid diversification of pharmaceutically relevant hydantoins II [Ar = Ph, 4-(methoxycarbonyl)benzen-1-yl, 4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzen-1-yl] and III.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Application of 16004-15-2. 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: 1-(Bromomethyl)-4-iodobenzene, is researched, Molecular C7H6BrI, CAS is 16004-15-2, about Synthesis and evaluation of thymol-based synthetic derivatives as dual-action inhibitors against different strains of H. pylori and AGS cell line.

Herein, the synthesis of a new series of thymol-based ethers I [R = Me, H2C:CH, CN, EtO2C, Ph, 2-BrC6H4, etc.] and their microbiol. screening against eight strains of H. pylori and the cytotoxic activity against human gastric adenocarcinoma (AGS) cells are reported. Structural anal. comprehended elemental anal. and 1H/13C/19F NMR spectra. The anal. of structure-activity relationships within this mol. library of these structurally-related compounds showed that some chem. modifications of the OH group of thymol led to broad-spectrum growth inhibition on all isolates. Preferred substitutions were benzyl groups compared to alkyl chains and the specific presence of functional groups at para position of the benzyl moiety such as 4-CN and 4-Ph endowed the most anti-H. pylori activity toward all the strains with min. inhibitory concentration (MIC) values up to 4μg/mL. Poly-substitution on the benzyl ring was not essential. Moreover, several compounds characterized by the lowest min. inhibitory concentration/min. bactericidal concentration (MIC/MBC) values against H. pylori were also tested in order to verify a cytotoxic effect against AGS cells with respect to 5-fluorouracil and carvacrol.

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Reference:
Piperazine – Wikipedia,
Piperazines – 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, Research Support, N.I.H., Extramural, Research Support, Non-U.S. Gov’t, Research Support, U.S. Gov’t, Non-P.H.S., Journal of the American Chemical Society called Intermolecular Hydroamination of 1,3-Dienes To Generate Homoallylic Amines, Author is Yang, Xiao-Hui; Lu, Alexander; Dong, Vy M., which mentions a compound: 2343-22-8, SMILESS is FC1=CC2=C(NCC2)C=C1, Molecular C8H8FN, Category: piperazines.

Authors report a Rh-catalyzed hydroamination of 1,3-dienes to generate homoallylic amines. The work show-cases the first case of anti-Markovnikov selectivity in the intermol. coupling of amines and 1,3-dienes. By tuning the ligand properties and Bronsted acid additive, it was found that a combination of rac-BINAP and mandelic acid is critical for achieving anti-Markovnikov selectivity.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

COA of Formula: C9H10BKN6. 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: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about Coordination chemistry of dimethylgold(III) and methylmercury(II). Synthesis, proton NMR and structural studies of poly(pyrazol-1-yl)borate complexes. Author is Canty, Allan J.; Minchin, Nigel J.; Patrick, Jennifer M.; White, Allan H..

Dimethylgold(III) and methylmercury(II) form complexes Me2AuL and MeHgL [L = poly(pyrazol-1-yl)borate ligands, e.g., [HB(pz)3]- and [B(pz)4]-]. The structure of Me2Au[HB(pz)3] was determined by single-crystal x-ray diffraction. This complex has square-planar coordination for the Au atom involving 2 coordinated pyrazole rings and 1 uncoordinated ring, in contrast to the isoelectronic cation [Me2Au[(pz)3CH]]+, which has square-planar coordination with a weak axial Au-N interaction. Variable-temperature 1H NMR in CD2Cl2 indicates a rapid equilibrium between pyrazole-ring environments at ambient temperature and, for the MeHgII complexes, down to -90°. For the Me2AuIII complexes, spectra at -90° indicate pyrazole-ring environments in ratios 2:1 [L = [HB(pz)3]-] and 2:1:1 [L = [B(pz)4]-].

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Reference:
Piperazine – Wikipedia,
Piperazines – 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.Brunker, Tim J.; Green, Jennifer C.; O’Hare, Dermot researched the compound: Potassiumtris(1-pyrazolyl)borohydride( cas:18583-60-3 ).Synthetic Route of C9H10BKN6.They published the article 《CrCp*Tp: A High-Spin Cr(II) Sandwich Complex with a Large Structural Distortion》 about this compound( cas:18583-60-3 ) in Inorganic Chemistry. Keywords: cyclopentadienyl chromium pyrazolylborato sandwich preparation structural distortion; crystal mol structure pentamethylcyclopentadienyl tripyrazolylborato chromium sandwich; magnetic moment pentamethylcyclopentadienyl tripyrazolylborato chromium sandwich; DFT cyclopentadienyl chromium pyrazolylborato sandwich; Jahn Teller distortion cyclopentadienyl chromium pyrazolylborato sandwich. We’ll tell you more about this compound (cas:18583-60-3).

CrCp*Tp was synthesized from the reaction of [CrCp*Cl]2 and KTp. Magnetic measurements indicate it to have a high-spin (S = 2) electronic configuration from 5 to 300 K. A single-crystal x-ray study reveals bond lengths typical for a high-spin configuration and a pronounced Jahn-Teller distortion. The nature of this distortion was probed by DFT calculations and the variation in bond lengths successfully reproduced. The metal-based HOMO is significantly antibonding with respect to a single pyrazolyl ring only.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Recommanded Product: 1,10-Phenanthroline. 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: 1,10-Phenanthroline, is researched, Molecular C12H8N2, CAS is 66-71-7, about Micro-/Mesoporous Fluorescent Polymers and Devices for Visual Pesticide Detection with Portability, High Sensitivity, and Ultrafast Response.

The excess residue of pesticides in crops, soil, and water continues to be a widespread concern due to the threat to human health and food safety. With the aim to develop highly sensitive sensing materials and portable detection devices, two dicarbazole-based fluorescent micro-/mesoporous polymers (JYs) with a larger sp. surface area and pore sizes ranging from 1.1 to 34.2 nm are synthesized. The Stern-Volmer constants of JY fluorescence quenching for imidacloprid (50,063 M-1) exceed 23-51 times those of the reported porous organic polymers (980-2173 M-1). Of particular interest is the observation that JYs show rapid fluorescence response (2 s) and ultralow detection limit (30 ppb) for imidacloprid in water medium. The pronounced chemsensing property is attributed to the synergistic role of the hierarchical pore structure, large π-conjugation of chromophore groups, and strong inner filter effect between the polymer and imidacloprid mol. Moreover, the pesticide detection of JYs exhibits good interference resistance in complicated service environments such as the extract liquids of the apple peel and field soil as well as aqueous solutions of various cations and anions. Because of the portability, excellent reusability, and sensitive fluorescence response, the prepared JYs and detection devices have promising applications in the on-site monitoring and early warning of the pesticide residues.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Category: piperazines. 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: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about Paramagnetic Pyrazolylborate Complexes Tp2M and Tp*2M: 1H, 13C, 11B, and 14N NMR Spectra and First-Principles Studies of Chemical Shifts. Author is Pyykkonen, Ari; Feher, Robert; Kohler, Frank H.; Vaara, Juha.

The paramagnetic pyrazolylborates Tp2M and Tp*2M (M = Cu, Ni, Co, Fe, Mn, Cr, V) as well as [Tp2M]+ and [Tp*2M]+ (M = Fe, Cr, V) were synthesized and their NMR spectra recorded. The 1H signal shift ranges vary from ~30 ppm (Cu(II) and V(III)) to ~220 ppm (Co(II)), and the 13C signal shift ranges from ~180 ppm (Fe(III)) to ~1150 ppm (Cr(II)). The 11B and 14N shifts are ~360 and ~730 ppm, resp. Both neg. and pos. shifts were observed for all nuclei. The narrow NMR signals of the Co(II), Fe(II), Fe(III), and V(III) derivatives provide resolved 13C,1H couplings. All chem. shifts were calculated from 1st-principles on a modern version of Kurland-McGarvey theory which includes optimized structures, zero-field splitting, and g tensors, as well as signal shift contributions. Temperature dependence in the Fe(II) spin-crossover complex results from the equilibrium of the ground singlet and the excited quintet. The authors illustrate both the assignment and anal. capabilities, as well as the shortcomings of the current computational methodol. The large 1H, 13C, 11B, and 14N NMR signal shifts of paramagnetic complexes with popular Tp ligands are reproduced by 1st-principles calculations This supports the signal assignment and thus efficient characterization of the compounds Hints to the best-suited central-metal ions and NMR nuclei as well as information on underlying g factors, zero-field splittings, and structures are provided. The spin crossover of Tp2Fe is analyzed.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Nguyen, Hung Huy; Pham, Thu Thuy; Pham-Thi, Ngoc Oanh; Tran, Viet Hung; Le, Canh Dinh; Van Hoi, Bui; Trieu, Thi Nguyet; Pham, Chien Thang published the article 《Syntheses, structures, and anticancer activities of a series of trinuclear Cu(II) complexes with N-methylanthraniloyl(4-phenylthiosemicarbazide)》. Keywords: copper methylanthraniloyphenylthiosemicarbazide complex preparation anticancer; crystal structure copper methylanthraniloyphenylthiosemicarbazide complex.They researched the compound: 1,10-Phenanthroline( cas:66-71-7 ).Synthetic Route of C12H8N2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:66-71-7) here.

A series of trinuclear Cu(II) complexes with N-methylanthraniloyl(4-phenylthiosemicarbazide) (H2L) were successfully prepared and structurally determined The organic ligand H2L readily reacts with Cu(ClO4)2·6H2O and CuCl2·2H2O in DMF under formation of trinuclear complexes with the compositions of [Cu3(L)2(HCOO)2] (1) and [Cu3(L)2Cl2] (2), resp. Similar reaction with [Cu(phen)Cl2] gives rise to a trinuclear complex [Cu3(L)2(phen)]Cl2 (3a), which is alternatively prepared by a simple method including a simultaneous reaction of CuCl2·2H2O with H2L, o-phenanthroline and pyridine in CH2Cl2/MeOH. The compound [Cu3(L)2(phen)](PF6)2 (3b) is isolated from a analogous reaction and subsequent work up with (n-Bu4N)(PF6). Such facile synthetic procedure is successfully applied in preparation of structurally related product [Cu3(L)2(bpy)](PF6)2 (4). In all trinuclear complexes, the deprotonated organic compound L2- serves as bridging ligands with (N-amine, N1, S) and (O, N2) donor sets. The ligand H2L, 1 and 2 show almost no antiproliferative effects on the human MCF7 breast and HepG2 liver cancer cells. Surprisingly, 3 and 4 with IC50 values in the range of 1.37-10.24μM for MCF7 and 1.64-8.54μM for HepG2 exhibit significantly higher cytotoxicity than cisplatin under the same conditions.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics