isopropyl 3-hydroxy-3-(2-phenylethyl)hexanoate | 577979-81-8

• 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: isopropyl 3-hydroxy-3-(2-phenylethyl)hexanoate
• 英文别名: Propan-2-yl 3-hydroxy-3-(2-phenylethyl)hexanoate
• CAS: 577979-81-8
• 化学式: C₁₇H₂₆O₃
• 分子量: 278.392
• InChiKey: KMBOVLMONLXSOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof
  申请人：Sumika Fine Chemicals Co., Ltd.

  公开号：US20030176507A1

  公开（公告）日：2003-09-18

  The present invention relates to a production method of (R)-3-hydroxy-3-(2-phenylethyl)hexanoic acid which comprises optical resolution of racemic 3-hydroxy-3-(2-phenylethyl)hexanoic acid with an optically active amine of the formula (VIII) 1 wherein R 2 is 3,4-dimethoxyphenyl or 2-chlorophenyl. According to the present invention, (R)-3-hydroxy-3-(2-phenylethyl)hexanoic acid useful as a starting material of a pharmaceutical agent can be efficiently produced with a high optical purity and a relatively high total yield.

  本发明涉及(R)-3-羟基-3-(2-苯乙基)己酸的生产方法，包括用具有光学活性的式(VIII)中的氨基对混合的3-羟基-3-(2-苯乙基)己酸进行光学分辨，其中R2为3,4-二甲氧基苯基或2-氯苯基。根据本发明，作为制药剂的起始物质(R)-3-羟基-3-(2-苯乙基)己酸可以高效地生产，具有高光学纯度和相对较高的总产率。
• Production method of (R)-3- hydroxy-3-(2-phenylethyl)hexanoic acid and intermediate thereof
  申请人：Sumika Fine Chemicals Co., Ltd.

  公开号：US20040138496A1

  公开（公告）日：2004-07-15

  The present invention relates to a production method of (R)-3-hydroxy-3-(2-phenylethyl)hexanoic acid which comprises optical resolution of racemic 3-hydroxy-3-(2-phenylethyl)hexanoic acid with an optically active amine of the formula (VIII) 1 wherein R 2 is 3,4-dimethoxyphenyl or 2-chlorophenyl. According to the present invention, (R)-3-hydroxy-3-(2-phenylethyl)hexanoic acid useful as a starting material of a pharmaceutical agent can be efficiently produced with a high optical purity and a relatively high total yield.

  本发明涉及一种(R)-3-羟基-3-(2-苯乙基)己酸的生产方法，其包括使用式（VIII）中的手性胺对拉丁体3-羟基-3-(2-苯乙基)己酸进行光学分辨。其中，R2为3,4-二甲氧基苯基或2-氯苯基。根据本发明，可以高效地生产用作制药剂起始物的(R)-3-羟基-3-(2-苯乙基)己酸，其具有高光学纯度和相对较高的总收率。
• PROCESS FOR PRODUCING (R)-3-HYDROXY-3-(2-PHENYLETHYL)HEXANOIC ACID AND ITS INTERMEDIATE
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1481961B1

  公开（公告）日：2009-11-25
• Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1894912B1

  公开（公告）日：2009-08-05
• US6683207B2
  申请人：——

  公开号：US6683207B2

  公开（公告）日：2004-01-27