(E)-methyl 2-chloro-4-methylpent-2-enoate | 123488-96-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-methyl 2-chloro-4-methylpent-2-enoate
• 英文别名: methyl (E)-2-chloro-4-methylpent-2-enoate
• CAS: 123488-96-0
• 化学式: C₇H₁₁ClO₂
• 分子量: 162.616
• InChiKey: IPQKICNPACXGOZ-GQCTYLIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  (E)-methyl 2-chloro-4-methylpent-2-enoate 在 葡萄糖 、 recombinant GDH 、 recombinant old yellow enzyme 3 、 烟酰胺腺嘌呤双核苷酸磷酸盐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 (S)-methyl 2-chloro-4-methylpentanoate 、 (R)-methyl 2-chloro-4-methylpentanoate
  参考文献：
  名称：

  Enantioselective CC bond reduction of unsaturated α-chloro esters by old yellow enzymes

  摘要：

  The reduction of the C=Cdouble bond of some unsaturated alpha-chloro esters was investigated by means of cloned and overexpressed enoate reductases. The results were compared with those obtained by employing baker's yeast whole cells. The anti stereochemistry of hydrogen additions was confirmed by deuterium labeling experiments. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.07.008
• 作为产物：
  描述：

  甲醇 、 ethyl (E)-2-chloro-4-methylpent-2-enoate 在 硫酸 作用下， 生成 (E)-methyl 2-chloro-4-methylpent-2-enoate
  参考文献：
  名称：

  Enantioselective CC bond reduction of unsaturated α-chloro esters by old yellow enzymes

  摘要：

  The reduction of the C=Cdouble bond of some unsaturated alpha-chloro esters was investigated by means of cloned and overexpressed enoate reductases. The results were compared with those obtained by employing baker's yeast whole cells. The anti stereochemistry of hydrogen additions was confirmed by deuterium labeling experiments. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.07.008

文献信息

• UTAKA, MASANORI;KONISHI, SATOSHI;MIZUOKA, AMI;OHKUBO, TOSHIYASU;SAKAI, TA+, J. ORG. CHEM., 54,(1989) N1, C. 4989-4992
  作者：UTAKA, MASANORI、KONISHI, SATOSHI、MIZUOKA, AMI、OHKUBO, TOSHIYASU、SAKAI, TA+

  DOI：——

  日期：——