948-54-9 (1-(溴苯甲基)-4-氯苯,1-(Bromophenylmethyl)-4-chlorobenzene)

CAS号:
948-54-9
中文名称:
1-(溴苯甲基)-4-氯苯
英文名称:
1-(Bromophenylmethyl)-4-chlorobenzene
分子式:
C13H10BrCl
分子量:
281.575501918793

1-(溴苯甲基)-4-氯苯(948-54-9)名称与标识符

名称

中文别名:
1-(溴苯甲基)-4-氯苯;1-(溴苯基甲基)-4-氯苯;4-氯二苯溴甲烷;
英文别名:
1-(Bromophenylmethyl)-4-chlorobenzene;1-(BROMO-PHENYL-METHYL)-4-CHLORO-BENZENE;1-(Bromophenylmethyl)-4-chlorobenzene (ACI);Methane, bromo(p-chlorophenyl)phenyl- (6CI, 7CI, 8CI);1-(4-Chlorophenyl)-1-phenylmethyl bromide;1-[Bromo(phenyl)methyl]-4-chlorobenzene;4-Chloro-α-phenylbenzyl bromide;

标识符

InChIKey:
MPUGMNSVMMFEOE-UHFFFAOYSA-N
Inchi:
1S/C13H10BrCl/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13H
SMILES:
ClC1C=CC(C(C2C=CC=CC=2)Br)=CC=1

1-(溴苯甲基)-4-氯苯(948-54-9)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 2
  • 重原子数量 : 15
  • 复杂度 : 181
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0

1-(溴苯甲基)-4-氯苯(948-54-9)合成路线

合成路线:1 步
反应条件:
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Preparation of tricyclic compounds as prostaglandin I2 receptor agonists
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Improvement for synthesis process of cetirizine hydrochloride
Liu, Bue, Guangdong Huagong, 2008, 35(9), 66-67
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An efficient and selective method for the iodination and bromination of alcohols under mild conditions
Khazdooz, Leila; Zarei, Amin; Aghaei, Hamidreza; Azizi, Ghobad; Gheisari, Mohammad Mehdi, Tetrahedron Letters, 2016, 57(2), 168-171
合成路线:1 步
反应条件:
参考文献:
Preparation of 1-[bromo(phenyl)methyl]-4-chlorobenzene via by phase transfer catalysis
Kang, Huaiping; Wang, Juan; Liu, Yuzhen; Nie, Xinyong, Huaxue Shijie, 2006, 47(1), 36-37
合成路线:1 步
反应条件:
参考文献:
Improved synthesis of cetirizine hydrochloride
Wang, Jian-jun; Yang, Xue-yan; Wu, Fan-hong, Huadong Ligong Daxue Xuebao, 2002, 28(6), 668-670
合成路线:1 步
反应条件:
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Method for preparation of chlorcyclizine hydrochloride
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合成路线:1 步
反应条件:
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Synthesis of 1-[(4-chlorophenyl) phenyl methyl] piperazine
Dong, Chuan-ming; Chu, Ji-cheng; Li, Mao-xia, Meitan Yu Huagong, 2014, 37(1), 83-84
合成路线:1 步
反应条件:
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Method for synthesizing chlorcyclizine hydrochloride
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合成路线:1 步
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Pyrimidinone derivatives and their preparation, and use in the treatment of GPR119-related diseases
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合成路线:1 步
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Synthesis and anticonvulsant activity of some cinnamylpiperazine derivatives
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合成路线:1 步
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Reactions of halometal alcoholates. LXXVI. Anomalous courses of the reactions of aromatic ketones with organomagnesium compounds
Lapkin, I. I.; Khokhryakova, N. P.; Rybakova, M. N., Sintetich. Metody na Osnove Metalloorgan. Soedinenii., 1977, 71, 71-6
合成路线:1 步
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Yu, I-Ch'eng; Lui, Ch'uan-Ming; Lu, Chung-Lin, Yaoxue Xuebao, 1966, 13(7), 514-17
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反应条件:
参考文献:
AlBr3·6H2O catalyzed oxidation of benzylic alcohols
Zhong, Yun-Mei; Ma, Heng-Chang; Wang, Jin-Xia; Jia, Xiao-Jie; Li, Wen-Feng; et al, Catalysis Science & Technology, 2011, 1(6), 927-931