[(1S,3S)-7,7-二氟二螺[2.0.2.1]庚-1-基]甲醇 | 321857-22-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: [(1S,3S)-7,7-二氟二螺[2.0.2.1]庚-1-基]甲醇
• 英文名称: (1S,3S)-7,7-difluorodispiro[2.0.2.1]heptylmethanol
• 英文别名: [(4S,6S)-7,7-difluorodispiro[2.0.24.13]heptan-6-yl]methanol
• CAS: 321857-22-1
• 化学式: C₈H₁₀F₂O
• 分子量: 160.164
• InChiKey: QIELUBATFLDOKK-VDTYLAMSSA-N

物化性质

• 沸点：
  222.8±10.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(1S,3S)-7,7-二氟二螺[2.0.2.1]庚-1-基]甲醇 在 chromium(VI) oxide 、 硫酸 、 丙酮 作用下， 生成 (4S,6S)-7,7-difluorodispiro[2.0.24.13]heptane-6-carboxylic acid
  参考文献：
  名称：

  Optically Active Mesogenic Dispiro[2.0.2.1]Heptane Derivatives and their Unusual Physical Properties

  摘要：

  Physical properties. i.e. phase transition temperatures, response times, Ps values, tilt angles. helical twisting powers and helical twisting senses of a series of novel ferroelectric liquid crystalline compounds with non-substituted and halogen-substituted dispiro[2.0.2.1]heptyl moieties in their side chains have been measured, When mixed with an achiral SmC base mixture, the resulting SmC* mixtures containing the novel compounds showed ferroelectricity, and the novel compounds were estimated as useful dopants for ferroelectric liquid crystal mixtures. Further unusual properties were observed with the combinations of the two diastereomeric novel compounds, for example (1S,3R,4S)-4a and (1S,3R,4R)-5a. They showed opposite signs for the Ps and the same sense for the N* helical twisting, which clearly suggests that the direction of the Ps and helical sense of N* must be derived from different origins.

  DOI：

  10.1080/10587250108024994
• 作为产物：
  描述：

  [(4S,6S)-7,7-difluorodispiro[2.0.24.13]heptan-6-yl]methyl acetate 在 硫酸 作用下， 以 甲醇 为溶剂， 以98%的产率得到[(1S,3S)-7,7-二氟二螺[2.0.2.1]庚-1-基]甲醇
  参考文献：
  名称：

  Miyazawa; Yufit; Howard, European Journal of Organic Chemistry, 2000, # 24, p. 4109 - 4117

  摘要：

  DOI：

文献信息

• Miyazawa; Yufit; Howard, European Journal of Organic Chemistry, 2000, # 24, p. 4109 - 4117
  作者：Miyazawa、Yufit、Howard、De Meijere

  DOI：——

  日期：——
• Optically Active Mesogenic Dispiro[2.0.2.1]Heptane Derivatives and their Unusual Physical Properties
  作者：Kazutoshi Miyazawa、Dietrich Demus、Armin De Meijere

  DOI：10.1080/10587250108024994

  日期：2001.8

  Physical properties. i.e. phase transition temperatures, response times, Ps values, tilt angles. helical twisting powers and helical twisting senses of a series of novel ferroelectric liquid crystalline compounds with non-substituted and halogen-substituted dispiro[2.0.2.1]heptyl moieties in their side chains have been measured, When mixed with an achiral SmC base mixture, the resulting SmC* mixtures containing the novel compounds showed ferroelectricity, and the novel compounds were estimated as useful dopants for ferroelectric liquid crystal mixtures. Further unusual properties were observed with the combinations of the two diastereomeric novel compounds, for example (1S,3R,4S)-4a and (1S,3R,4R)-5a. They showed opposite signs for the Ps and the same sense for the N* helical twisting, which clearly suggests that the direction of the Ps and helical sense of N* must be derived from different origins.