(E)-4,4,4-trichloro-2-ethylbut-2-enal | 934388-28-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: (E)-4,4,4-trichloro-2-ethylbut-2-enal
• CAS: 934388-28-0
• 化学式: C₆H₇Cl₃O
• 分子量: 201.48
• InChiKey: KJIMHEYHKHKEFR-HWKANZROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-4,4,4-trichloro-2-ethylbut-2-enal 以 phosphate buffer 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  Highly stereoselective bioreduction and one-way isomerization of 2-alkyl-4,4,4-trichloro-2-butenals

  摘要：

  This article describes a highly stereoselective bioreduction of 2-alkyl-4,4,4-trichloro-2-butenals (1a: Me, 1b: Ell mediated by baker's yeast (Saccharomyces cerevisiae). The E-isomers were regiospecifically converted into the saturated alcohols 2 with high enantioselectivity, whereas the Z-isomers generated in situ by a competitive one-way isomerization were reduced only into the corresponding allyl alcohols 3 during the reactions. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.01.115
• 作为产物：
  描述：

  4,4,4-Trichloro-2-ethyl-3-hydroxybutanal 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 (E)-4,4,4-trichloro-2-ethylbut-2-enal
  参考文献：
  名称：

  Highly stereoselective bioreduction and one-way isomerization of 2-alkyl-4,4,4-trichloro-2-butenals

  摘要：

  This article describes a highly stereoselective bioreduction of 2-alkyl-4,4,4-trichloro-2-butenals (1a: Me, 1b: Ell mediated by baker's yeast (Saccharomyces cerevisiae). The E-isomers were regiospecifically converted into the saturated alcohols 2 with high enantioselectivity, whereas the Z-isomers generated in situ by a competitive one-way isomerization were reduced only into the corresponding allyl alcohols 3 during the reactions. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.01.115