(S)-butyl 2-hydroxy-4-phenylbut-3-ynoate | 1271183-37-9

• 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: (S)-butyl 2-hydroxy-4-phenylbut-3-ynoate
• 英文别名: butyl (2S)-2-hydroxy-4-phenylbut-3-ynoate
• CAS: 1271183-37-9
• 化学式: C₁₄H₁₆O₃
• 分子量: 232.279
• InChiKey: HCENQRYQIRPFMB-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  butyl 2-hydroxy-4-phenylbut-3-ynoate 在 Candida parapsilosis ATCC 7330 作用下， 以 水 为溶剂， 反应 4.0h， 生成 (S)-butyl 2-hydroxy-4-phenylbut-3-ynoate 、 (R)-butyl 2-hydroxy-4-phenylbut-3-ynoate
  参考文献：
  名称：

  Biocatalytic deracemization of alkyl-2-hydroxy-4-arylbut-3-ynoates using whole cells of Candida parapsilosis ATCC 7330

  摘要：

  Racemic alkyl-2-hydroxy-4-arylbut-3-ynoates were deracemized to the (S)-alky1-2-hydroxy-4-arylbut-3-ynoates in excellent enantiomeric excesses (up to >99%) and good isolated yields (up to 81%) with the biocatalyst Candida parapsilosis ATCC 7330. The absolute configuration of the resulting enantiomer was assigned by H-1 NMR using Mosher's method. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.11.021

文献信息

• Biocatalytic deracemization of alkyl-2-hydroxy-4-arylbut-3-ynoates using whole cells of Candida parapsilosis ATCC 7330
  作者：Thangavel Saravanan、Anju Chadha

  DOI：10.1016/j.tetasy.2010.11.021

  日期：2010.12

  Racemic alkyl-2-hydroxy-4-arylbut-3-ynoates were deracemized to the (S)-alky1-2-hydroxy-4-arylbut-3-ynoates in excellent enantiomeric excesses (up to >99%) and good isolated yields (up to 81%) with the biocatalyst Candida parapsilosis ATCC 7330. The absolute configuration of the resulting enantiomer was assigned by H-1 NMR using Mosher's method. (C) 2010 Elsevier Ltd. All rights reserved.