| 588691-58-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 588691-58-1
• 化学式: C₁₇H₂₆O₂
• 分子量: 262.392
• InChiKey: ORUHYHLQBSVIOL-SFKKXYGYSA-N

物化性质

• 沸点：
  375.8±30.0 °C(Predicted)
• 密度：
  0.977±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.95
• 重原子数：
  19.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 氨 、 sodium 作用下， 以88%的产率得到(E)-3,7-dimethyl-2-octene-1,8-diol
  参考文献：
  名称：

  Chemoenzymatic synthesis of (E)-3,7-dimethyl-2-octene-1,8-diol isolated from the hairpencils of male danaus chrysippus (African monarch)

  摘要：

  The synthesis of (E)-3,7-dimethyl-2-octene-1,8-diol (1), which was isolated from the hairpencils of male Danaus chrysippus (African Monarch), was investigated. The key step of the sequence involves asymmetric desymmetrization of the 1,3-propanediol 7 with lipase, in which high enantio selectivity was observed. Total synthesis afforded (S)-1 in 12 steps and 26% overall yield from readily available geraniol. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00352-4
• 作为产物：
  描述：

  (R)-2-(6-benzyloxy-4-methyl-4-hexenyl)propane-1,3-diol monoacetate 在 吡啶 、 lithium aluminium tetrahydride 作用下， 生成
  参考文献：
  名称：

  Chemoenzymatic synthesis of (E)-3,7-dimethyl-2-octene-1,8-diol isolated from the hairpencils of male danaus chrysippus (African monarch)

  摘要：

  The synthesis of (E)-3,7-dimethyl-2-octene-1,8-diol (1), which was isolated from the hairpencils of male Danaus chrysippus (African Monarch), was investigated. The key step of the sequence involves asymmetric desymmetrization of the 1,3-propanediol 7 with lipase, in which high enantio selectivity was observed. Total synthesis afforded (S)-1 in 12 steps and 26% overall yield from readily available geraniol. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00352-4