2,5-Dimethylhex-4-ene-1,2-diol | 159645-05-3

• 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: 2,5-Dimethylhex-4-ene-1,2-diol
• 英文别名: 2,5-dimethylhex-4-ene-1,2-diol
• CAS: 159645-05-3
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: MLEPYOFDSKERRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,5-Dimethylhex-4-ene-1,2-diol 生成 (2S)-2,5-dimethylhex-4-ene-1,2-diol
  参考文献：
  名称：

  Enantioselective Pseudomonas fluorescens (P. cepacia) lipase-catalyzed irreversible transesterification of 2-methyl-1,2-diols in an organic solvent

  摘要：

  The Pseudomonas fluorescens (P. cepacia) lipase-catalyzed irreversible transesterification of 2-phenyl-1,2-propanediol 1a is not enantioselective, whereas the diols 1b and 1c are enzymatically resolved with the same procedure to (S)-1b and 1c (>98 and 92% e.e.) and the (R)-acetates 2b and 2c (92% e.e.).

  DOI：

  10.1016/s0957-4166(00)86267-9
• 作为产物：
  描述：

  [2-(3-Methylbut-2-enyl)oxiran-2-yl]methanol 在 lithium aluminium tetrahydride 作用下， 生成 2,5-Dimethylhex-4-ene-1,2-diol
  参考文献：
  名称：

  Enantioselective Pseudomonas fluorescens (P. cepacia) lipase-catalyzed irreversible transesterification of 2-methyl-1,2-diols in an organic solvent

  摘要：

  The Pseudomonas fluorescens (P. cepacia) lipase-catalyzed irreversible transesterification of 2-phenyl-1,2-propanediol 1a is not enantioselective, whereas the diols 1b and 1c are enzymatically resolved with the same procedure to (S)-1b and 1c (>98 and 92% e.e.) and the (R)-acetates 2b and 2c (92% e.e.).

  DOI：

  10.1016/s0957-4166(00)86267-9

文献信息

• Enantioselective Pseudomonas fluorescens (P. cepacia) lipase-catalyzed irreversible transesterification of 2-methyl-1,2-diols in an organic solvent
  作者：Patrizia Ferraboschi、Silvana Casati、Paride Grisenti、Enzo Santaniello

  DOI：10.1016/s0957-4166(00)86267-9

  日期：1994.10

  The Pseudomonas fluorescens (P. cepacia) lipase-catalyzed irreversible transesterification of 2-phenyl-1,2-propanediol 1a is not enantioselective, whereas the diols 1b and 1c are enzymatically resolved with the same procedure to (S)-1b and 1c (>98 and 92% e.e.) and the (R)-acetates 2b and 2c (92% e.e.).