1-(4-Bromophenyl)propyl acetate | 256378-84-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-Bromophenyl)propyl acetate
• CAS: 256378-84-4
• 化学式: C₁₁H₁₃BrO₂
• 分子量: 257.127
• InChiKey: JOCSXUSEZHSHOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-Bromophenyl)propyl acetate 在 phosphate buffer 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 生成 (S)-1-(4-bromophenyl)propyl acetate 、 (1R)-1-(4-溴苯基)-1-丙醇 、 (S)-1-(4-bromophenyl)propan-1-ol 、 (R)-[1-(p-bromo)phenyl]-1-propyl acetate
  参考文献：
  名称：

  Screening of liver acetone powders in the resolution of 1-phenylethanols and 1-phenylpropanols derivatives

  摘要：

  Hydrolases from the liver acetone powders (LAPs) of bovine, cat, chicken, turkey, lamb, pig, rabbit, and rat were assessed for the enantioselective hydrolysis of acetates of 1-(4-chlorophenyl)ethanot, 1-(3-bromophenyl)ethanol, 1-(4-chlorophenyl)propanol, 1-(4-bromophenyl)propanol, and 1-(3-bromophenyl)propanol. The enantioselectivity of the hydrolytic reaction was dependent upon the liver hydrolase, substrate, pH of the reaction media, and the cosolvent. The most ester selective LAP was from chicken, and the resulting alcohols had the highest ee (80% to >99%). All of the LAPs tested catalyzed the hydrolysis of 1-(4-chlorophenyl)ethanol, except for lamb LAP. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.01.041
• 作为产物：
  描述：

  4-溴-alpha-乙基苄醇 、 乙酸酐 在 三乙胺 作用下， 生成 1-(4-Bromophenyl)propyl acetate
  参考文献：
  名称：

  Screening of liver acetone powders in the resolution of 1-phenylethanols and 1-phenylpropanols derivatives

  摘要：

  Hydrolases from the liver acetone powders (LAPs) of bovine, cat, chicken, turkey, lamb, pig, rabbit, and rat were assessed for the enantioselective hydrolysis of acetates of 1-(4-chlorophenyl)ethanot, 1-(3-bromophenyl)ethanol, 1-(4-chlorophenyl)propanol, 1-(4-bromophenyl)propanol, and 1-(3-bromophenyl)propanol. The enantioselectivity of the hydrolytic reaction was dependent upon the liver hydrolase, substrate, pH of the reaction media, and the cosolvent. The most ester selective LAP was from chicken, and the resulting alcohols had the highest ee (80% to >99%). All of the LAPs tested catalyzed the hydrolysis of 1-(4-chlorophenyl)ethanol, except for lamb LAP. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.01.041

文献信息

• Sonochemical Reactions of Lead Tetraacetate with 4-Substituted Styrenes
  作者：Takashi Ando、Takahide Kimura、Jean-Marc Levêque、Mitsue Fujita、Jean-Louis Luche

  DOI：10.1246/cl.2000.1124

  日期：2000.10

  A good linear free energy relationship was observed between the radical reactivity of the sonochemical reactions of 4-substituted styrenes with lead tetraacetate and the vapor pressure of the styrenes, indicating a probable control of the process by an intra-bubble activation.

  在 4-取代苯乙烯与四乙酸铅的声化学反应的自由基反应性与苯乙烯的蒸气压之间观察到良好的线性自由能关系，表明可能通过气泡内活化来控制该过程。