Tag: M.W:200-300

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Silylium-Ion Regeneration by Protodesilylation Enables Friedel-Crafts Alkylation with Less Isomerization and No Defunctionalization》. Authors are He, Tao; Klare, Hendrik F. T.; Oestreich, Martin.The article about the compound:1-(Bromomethyl)-4-iodobenzenecas:16004-15-2,SMILESS:IC1=CC=C(CBr)C=C1).Recommanded Product: 16004-15-2. Through the article, more information about this compound (cas:16004-15-2) is conveyed.

An improved protocol for the Friedel-Crafts alkylation of benzene as well as its methylated and halogenated derivatives with alkyl and benzyl bromides is reported. The reaction is promoted by a counteranion-stabilized silylium ion in the presence of stoichiometric amounts of a simple phenyl-substituted tetraorganosilane. This additive functions as a proton scavenger, regenerating the catalytically active silylium ion through protonation (protodesilylation) by the Wheland intermediate. It is a productive “”proton-into-silylium ion”” generator. The higher proton affinity of silylated compared with alkylated arenes results in fast proton transfer from the Bronsted acidic Wheland intermediate to the ipso position of that phenylsilane, thereby preventing otherwise competing defunctionalization and isomerization at the stage of the Wheland intermediate. The additive was also found to be crucial for turnover in the alkylation with primary alkyl bromides and for the suppression of transbenzylation in the benzylation with more reactive benzyl bromides.

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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

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

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]-].

From this literature《Coordination chemistry of dimethylgold(III) and methylmercury(II). Synthesis, proton NMR and structural studies of poly(pyrazol-1-yl)borate complexes》,we know some information about this compound(18583-60-3)COA of Formula: C9H10BKN6, 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. 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

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

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

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.Canty, Allan J.; Dedieu, Alain; Jin, Hong; Milet, Anne; Richmond, Matthew K. researched the compound: Potassiumtris(1-pyrazolyl)borohydride( cas:18583-60-3 ).SDS of cas: 18583-60-3.They published the article 《Synthesis and Theoretical Studies of a Diorganohydridoplatinum(IV) Complex, PtHMe2{(pz)3BH-N,N’,N”} ([(pz)3BH]- = Tris(pyrazol-1-yl)borate)》 about this compound( cas:18583-60-3 ) in Organometallics. Keywords: platinum methyl hydrido pyrazolylborate complex preparation; SCF MP2 MO imine platinum dimethyl. We’ll tell you more about this compound (cas:18583-60-3).

The platinum(II) tris(pyrazol-1-yl)borate complex [PtMe2{(pz)3BH-N,N’}]- reacts with phenol or aqueous HBF4 in acetone to form the dimethylhydridoplatinum(IV) complex PtHMe2{(pz)3BH-N,N’,N”}. The complex decomposes above ∼140° in toluene-d8 to give methane. Theor. calculations at the SCF and MP2 levels for the species PtXMe2{(H2C:N-NH)3BH-N,N’,N”} (where X = H, OH, Me and the fragment [(H2C:N-NH)3BH]- is a model for [(pz)3BH]-) yield geometries that compare well with structural reports for Pt(OH)Me2{(pz)3BH} and PdMe3{(pz)3BH}.

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

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: 2-Bromopriopionaldehydediethylacetal, is researched, Molecular C7H15BrO2, CAS is 3400-55-3, about Reactions of α-bromopropionaldehyde and its diethyl acetal with triethyl phosphite and triphenylphosphine.Safety of 2-Bromopriopionaldehydediethylacetal.

Reactions of MeCHBrCH(OEt)2 (I) with (EtO)3P (II) gave, via MeCBr:CHOEt (III), (EtO)2P(O)CMe:CHOEt, which on hydrolysis yielded (EtO)2P(O)CHMeCHO. Reaction of MeCHBrCHO (IV) with II gave MeCH:CHOP(O)(OEt)2. Heating I with Ph3P in benzene gave Ph3PO and [Ph3P+Et]Br- with III and MeCH:CHCHMeCH(OEt)2 as by-products. III reacted with Ph3P to give [Ph3P+CMe:CHOEt]Br-, hydrolysis of which yielded [Ph3P+CHMeCHO]Br-. IV reacted with Ph3P to give [MeCH:CHOP+Ph3]Br-.

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

Related Products of 16004-15-2. 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-iodobenzene, is researched, Molecular C7H6BrI, CAS is 16004-15-2, about Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly. Author is Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui.

To achieve efficient room-temperature phosphorescence of organic materials with ultralong lifetime, it is imperative to resolve the dilemma that the introduction of heavy atoms simultaneously improves emission efficiencies and shortens the emission lifetimes. Herein, we report a new mol. design approach for halogenated luminogens with a methylene bridge to avoid the lifetime shortening induced by heavy halogens and propose a general mol. engineering strategy to realize efficient and ultralong room-temperature phosphorescence via halogen-mediated mol. clustering. The halogenated N-benzylcarbazole derivatives show distinct photophys. behaviors depending on different phys. states, including single-mol. state and cluster state. Their crystals demonstrate the halogen-dependent emission duration of room-temperature phosphorescence upon excitation. Exptl. data and theor. anal. indicate that halogen-regulated mol. clustering in the crystal is responsible for the generation of efficient ultralong room-temperature phosphorescence, and halogen-dominated mol. engineering favors the promotion of the intersystem crossing process and the following triplet emissions.

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