5,5-Dimethyl-hex-1-ene-3,4-diol | 187873-72-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,5-Dimethyl-hex-1-ene-3,4-diol
• 英文别名: 5,5-Dimethylhex-1-ene-3,4-diol
• CAS: 187873-72-9
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: SMQSHSFPVVAMBY-UHFFFAOYSA-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

• 作为反应物：
  描述：

  5,5-Dimethyl-hex-1-ene-3,4-diol 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 (3S,4S)-3,4-diacetoxy-5,5-dimethylhex-1-ene
  参考文献：
  名称：

  Lipase-catalyzed kinetic resolution of threo -configured 1,2-diols: a comparative study of transesterification versus hydrolysis

  摘要：

  The kinetic resolution of the alpha,beta-unsaturated vicinal diols 3 has been investigated by irreversible transesterification in organic media and by hydrolysis of the corresponding diacetates 6 (Scheme 1). The best results were obtained in the hydrolysis of the diacetates with the lipase CAL-B from Candida antarctica as a catalyst. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00043-3
• 作为产物：
  描述：

  (Z)-2,2-dimethylhex-4-en-3-ol 在 氧气 、 tetraphenylporphyrin 、 三苯基膦 作用下， 以 四氯化碳 、 二氯甲烷 为溶剂， 反应 12.5h， 生成 5,5-Dimethyl-hex-1-ene-3,4-diol
  参考文献：
  名称：

  Lipase-catalyzed kinetic resolution of threo -configured 1,2-diols: a comparative study of transesterification versus hydrolysis

  摘要：

  The kinetic resolution of the alpha,beta-unsaturated vicinal diols 3 has been investigated by irreversible transesterification in organic media and by hydrolysis of the corresponding diacetates 6 (Scheme 1). The best results were obtained in the hydrolysis of the diacetates with the lipase CAL-B from Candida antarctica as a catalyst. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00043-3

文献信息

• Chromium(II)-Catalyzed Diastereoselective Pinacol Type Cross Coupling between α,β-Unsaturated Carbonyl Compounds and Aliphatic Aldehydes
  作者：Ulrich Groth、Marc Jung

  DOI：10.1055/s-2002-35572

  日期：——

  Using only 10 mol% of CrCl2 as catalyst, acroleins and α,β-unsaturated ketones were coupled with aliphatic aldehydes to obtain substituted 1,2-diols using manganese powder as reducing agent and TMS-Cl as scavenger. Diastereoselectivities depend on the substituents especially on R1 of the unsaturated carbonyl compound. Formation of the syn-diols is preferred with sterically demanding R1, the anti-diols are obtained with smaller substituents.

  以锰粉末为还原剂，TMS-Cl 为清除剂，仅用 10 mol% 的氯化铬作为催化剂，就可将丙烯醛和 δ、δ-不饱和酮与脂肪醛偶联，得到取代的 1,2-二醇。非对映选择性取决于取代基，尤其是不饱和羰基化合物的 R1。形成合成二元醇的 R1 具有较高的立体要求，而形成反二元醇的取代基则较小。
• CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0839179A1

  公开（公告）日：1998-05-06
• CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0839180A1

  公开（公告）日：1998-05-06
• CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0842250A1

  公开（公告）日：1998-05-20
• US5747443A
  申请人：——

  公开号：US5747443A

  公开（公告）日：1998-05-05