(S)-3-isopropylhexanedioic acid | 61898-61-1

• 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)-3-isopropylhexanedioic acid
• 英文别名: (S)-3-isopropyl-adipic acid；(S)-3-Isopropyl-adipinsaeure；(-)(S)-3-Isopropyl-adipinsaeure；(3S)-3-(Propan-2-yl)hexanedioic acid；(3S)-3-propan-2-ylhexanedioic acid
• CAS: 61898-61-1
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: KTSZEWSMMVWJJL-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-3-isopropylhexanedioic acid 在 sodium carbonate 作用下， 反应 0.5h， 生成 (S)-3-isopropylcyclopentanone
  参考文献：
  名称：

  Synthesis and AChE inhibitory activity of new chiral tetrahydroacridine analogues from terpenic cyclanones

  摘要：

  This work describes the enantioselective synthesis of a new series of terpenic chiral 9-aminotetrahydroacridine analogues. Several chiral ketones were synthesized from natural monoterpenes in an optically active form and subjected to the cyclodehydration reactions with anthranilonitrile in the presence of BF3 center dot Et2O as catalyst. The 9-aminotetrahydroacridine analogues were tested as acetylcholinesterase (AChE) inhibitors. Based on qualitative structure-activity relationship some trends are suggested. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.10.039
• 作为产物：
  描述：

  (+-)-3-isopropyl-adipic acid 生成 (S)-3-isopropylhexanedioic acid
  参考文献：
  名称：

  v. Braun; Werner, Chemische Berichte, 1929, vol. 62, p. 1054

  摘要：

  DOI：

文献信息

• 40. The carbonyl constituents of eucalyptus oils. Part IV. The constitution of phellandral. d-, l-, and dl-β-isopropyladipic acids
  作者：G. Burger、A. Killen Macbeth

  DOI：10.1039/jr9460000145

  日期：——
• Synthesis and AChE inhibitory activity of new chiral tetrahydroacridine analogues from terpenic cyclanones
  作者：Diego dos Santos Pisoni、Jessie Sobieski da Costa、Douglas Gamba、Cesar Liberato Petzhold、Antonio César de Amorim Borges、Marco Antonio Ceschi、Paula Lunardi、Carlos Alberto Saraiva Gonçalves

  DOI：10.1016/j.ejmech.2009.10.039

  日期：2010.2

  This work describes the enantioselective synthesis of a new series of terpenic chiral 9-aminotetrahydroacridine analogues. Several chiral ketones were synthesized from natural monoterpenes in an optically active form and subjected to the cyclodehydration reactions with anthranilonitrile in the presence of BF3 center dot Et2O as catalyst. The 9-aminotetrahydroacridine analogues were tested as acetylcholinesterase (AChE) inhibitors. Based on qualitative structure-activity relationship some trends are suggested. (C) 2009 Elsevier Masson SAS. All rights reserved.
• v. Braun; Werner, Chemische Berichte, 1929, vol. 62, p. 1054
  作者：v. Braun、Werner

  DOI：——

  日期：——