产品名称

英文名称：p-Bromotoluene

同义词

DTXCID804661、J-514846、C5O、para-methylphenyl bromide、NCGC00090876-01、CAS-106-38-7、1-Bromo-4-methylbenzene、1-bromo-4-methyl-benzene、FT-0617928、B0661、Q27272425、1-Methyl-4-bromobenzene、EINECS 203-391-8、p-Tolyl bromide、Toluene, p-bromo-、9E349GQ7EU、NSC 6531、4-B、4-溴甲苯

产品性质

CAS编号：106-38-7

分子式：C7H7Br

分子量：171.03

Beilstein号：1903636

EC号：203-391-8

MDL号：MFCD00000109

PubChem编号：7805

别名：4-溴甲苯

英文别名：DTXCID804661|J-514846|C5O|para-methylphenyl bromide|NCGC00090876-01|CAS-106-38-7|1-Bromo-4-methylbenzene|1-bromo-4-methyl-benzene|FT-0617928|B0661|Q27272425|1-Methyl-4-bromobenzene|EINECS 203-391-8|p-Tolyl bromide|Toluene, p-bromo-|9E349GQ7EU|NSC 6531|4-B

规格或纯度：99%

英文名称：p-Bromotoluene

应用：用于有机合成。 4-溴甲苯可用于通过Cu/Pd催化的脱羧交叉偶联反应而合成酮。

运输条件：常规运输

产品介绍：溶于乙醇、乙醚和苯，不溶于水。4-溴甲苯是 对位取代的芳基溴。在CuI/K2CO3/phen体系的催化下，4-溴甲苯可与2,4-二甲基苯酚发生C-O偶联反应。据报道，配合物[Cu（phen）（1-（2,4-二甲基苯氧基）-4-甲基苯]]+、 {H[Cu(phen)(2,4-dimethylphenoxy)]}+ 和[Cu(2,4-dimethylphenoxy)2]-可作为原位电喷雾电离质谱（ESI-MS）分析反应的中间体。已有研究报道了使用乙酸钯（II）催化的4-溴甲苯与非荧光苯基硼酸（PBA）的Suzuki偶联反应。已有研究描述了在微结构连续反应器中钯催化的4-溴甲苯与哌啶的C-N交叉偶联反应。据报道，当存在原位生成的膦官能化N-杂环卡宾配体的钯配合物时，4-溴甲苯与苯乙烯会发生Heck反应。4-溴甲苯可用于通过Cu/Pd催化的脱羧交叉偶联反应而合成酮。4-Bromotoluene is a p-substituted aryl bromide. 4-Bromotoluene undergoes C-O coupling reaction with 2,4-dimethylphenol catalyzed by the CuI/K2CO3/phen system. Complexes [Cu(phen)(1-(2,4-dimethylphenoxy)-4-methylbenzene)]+, {H[Cu(phen)(2,4-dimethylphenoxy)]}+ and [Cu(2,4-dimethylphenoxy)2]- were reported as intermediates during the reaction by in situ electrospray ionization mass spectrometry (ESI-MS) analysis. Suzuki coupling reaction of 4-bromotoluene and non-fluorescent phenylboronic acid (PBA) in the presence of palladium (II) acetate as a catalyst has been studied. Palladium catalyzed C-N cross-coupling reaction of 4-bromotoluene with piperidine in a microstructured continuous reactor has been described.4-Bromotoluene has been reported to undergo Heck reaction with styrene in the presence of in situ generated palladium complexes of phosphine-functionalized N-heterocyclic carbene ligands.4-Bromotoluene was used in the synthesis of ketones by Cu/Pd-catalyzed decarboxylative cross-coupling reaction.

PubChem SID：488180569

PubChem SID url：https//pubchem.ncbi.nlm.nih.gov/substance/488180569

IUPAC Name：1-bromo-4-methylbenzene

INCHI：InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

InChi Key：ZBTMRBYMKUEVEU-UHFFFAOYSA-N

Canonical SMILES：CC1=CC=C(C=C1)Br

Isomeric SMILES：CC1=CC=C(C=C1)Br

WGK Germany：3

RTECS：XS7965600

PubChem CID：7805

Reaxy-Rn：1903636

溶解性：Insoluble in water. Soluble in methanol.

密度：1.39

凝固点：26 °C

折光率：1.5477

闪点(℉)：185 °F

闪点(℃)：85 °C

沸点：184.3°C

熔点：28.5°C

一般危化品：一般危化品

象形图：

信号词：Warning

危险声明：H315 Causes skin irritationH319 Causes serious eye irritationH335 May cause respiratory irritationH302 Harmful if swallowed

预防措施声明：P261,P305+P351+P338,P280,P302+P352,P321,P405,P501,P264,P271,P270,P304+P340,P403+P233,P362+P364,P330,P264+P265,P301+P317,P337+P317,P332+P317,P319

个人防护装备：dust mask type N95 (US),Eyeshields,Gloves

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