[(R)-(4-bromophenyl)-phenylmethyl] acetate | 1394803-01-0

• 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: [(R)-(4-bromophenyl)-phenylmethyl] acetate
• CAS: 1394803-01-0
• 化学式: C₁₅H₁₃BrO₂
• 分子量: 305.171
• InChiKey: VNWYGBJXWMTWHN-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙酸异丙烯酯 、 4-苄氧基苯甲酸 在 Candida antarctica lipase B W₁₀₄A 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 [(R)-(4-bromophenyl)-phenylmethyl] acetate 、
  参考文献：
  名称：

  Kinetic resolution of diarylmethanols using a mutated variant of lipase CALB

  摘要：

  An enzymatic kinetic resolution of diarylmethanols via acylation has been developed. This was achieved by the use of a mutated variant of CALB that accepts larger substrates compared to the wild type. By the use of diarylmethanols with two differently sized aryl groups, enantioselective transformations were achieved. A larger size-difference led to a higher enantioselectivity. In addition, substrates with electronically different aryl groups, such as phenyl and pyridyl, also gave an enantioselective reaction. The highest E value was observed with a substrate where steric and electronic effects were combined. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.06.040