1-chloro-2-methyl-6-hepten-2-ol | 35951-92-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-chloro-2-methyl-6-hepten-2-ol
• 英文别名: 1-chloro-2-methyl-hept-6-en-2-ol；1-Chlor-2-methyl-6-hepten-1-ol；1-Chlor-2-methylhepten-6-ol-2；1-Chloro-2-methylhept-6-en-2-ol
• CAS: 35951-92-9
• 化学式: C₈H₁₅ClO
• mdl: MFCD19232951
• 分子量: 162.66
• InChiKey: KYJZPGYABNSVTA-UHFFFAOYSA-N

物化性质

• 沸点：
  235.2±33.0 °C(Predicted)
• 密度：
  0.988±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  5-溴-1-戊烯 、 一氯丙酮 在 magnesium 作用下， 生成 1-chloro-2-methyl-6-hepten-2-ol
  参考文献：
  名称：

  Gevaza,Yu.I. et al., Soviet progress in chemistry, 1972, vol. 38, # 3, p. 37 - 40

  摘要：

  DOI：

文献信息

• Chemoenzymatic deracemization of (±)-2,2-disubstituted oxiranes
  作者：Romano V.A. Orru、Sandra F. Mayer、Wolfgang Kroutil、Kurt Faber

  DOI：10.1016/s0040-4020(97)10338-6

  日期：1998.1

  The preparation of vicinal diets in up to 98% e.e. and 98% yield from the corresponding (+/-)-2,2-disubstituted epoxides was achieved via an enantioconvergent two-step hydrolysis: Thus, enantioselective enzymatic hydrolysis of the (S)-epoxide proceeded with retention of configuration furnishing the corresponding (S)-diol. In a subsequent step, the remaining (R)-oxirane was hydrolyzed during workup under acid catalysis with complete inversion of configuration yielding the (S)-diol. A detailed study of the latter reaction revealed that the experimental conditions have to be carefully chosen with respect to (i) nature of the acid, (ii) the solvent, and (iii) its water content to avoid racemization. (C) 1997 Elsevier Science Ltd. All rights reserved.
• Gevaza,Yu.I. et al., Soviet progress in chemistry, 1972, vol. 38, # 3, p. 37 - 40
  作者：Gevaza,Yu.I. et al.

  DOI：——

  日期：——