(3S,4S)-5,5-dimethyl-1-hexen-3,4-diol | 189171-62-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3S,4S)-5,5-dimethyl-1-hexen-3,4-diol
• 英文别名: (3S,4S)-5,5-dimethylhex-1-ene-3,4-diol
• CAS: 189171-62-8
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: SMQSHSFPVVAMBY-NKWVEPMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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

• 作为产物：
  描述：

  4-Hydroperoxy-2,2-dimethyl-hex-5-en-3-ol 在 木榴油 作用下， 反应 20.0h， 生成 (3S,4S)-5,5-dimethyl-1-hexen-3,4-diol 、 (3R,4R)-5,5-Dimethyl-hex-1-ene-3,4-diol 、 (3S,4S)-4-Hydroperoxy-2,2-dimethyl-hex-5-en-3-ol 、 (3R,4S)-4-Hydroperoxy-2,2-dimethyl-hex-5-en-3-ol
  参考文献：
  名称：

  Horseradish peroxidase (HRP)-catalysed enantioselective reduction of racemic hydroperoxy homoallylic alcohols: a novel enzymatic method for the preparation of optically active, unsaturated diols and hydroperoxy alcohols

  摘要：

  The kinetic resolution of chiral diastereoisomeric hydroperoxy homoallylic alcohols by horseradish peroxidase (HRP)-catalysed asymmetric reduction affords the optically active (R,R) or (R,S) allylic diols and (S,S) or (S,R) hydroperoxy homoallylic alcohols in high enantiomeric excess (up to 99%).

  DOI：

  10.1039/cc9960002701

文献信息

• Horseradish peroxidase (HRP)-catalysed enantioselective reduction of racemic hydroperoxy homoallylic alcohols: a novel enzymatic method for the preparation of optically active, unsaturated diols and hydroperoxy alcohols
  作者：Waldemar Adam、Ute Hoch、Hans-Ulrich Humpf、Chantu R. Saha-Möller、Peter Schreier

  DOI：10.1039/cc9960002701

  日期：——

  The kinetic resolution of chiral diastereoisomeric hydroperoxy homoallylic alcohols by horseradish peroxidase (HRP)-catalysed asymmetric reduction affords the optically active (R,R) or (R,S) allylic diols and (S,S) or (S,R) hydroperoxy homoallylic alcohols in high enantiomeric excess (up to 99%).