(2R^*,4s^*,6S^*)-4-methyl-2,6-heptanediol | 233275-07-5

• 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: (2R^*,4s^*,6S^*)-4-methyl-2,6-heptanediol
• 英文别名: (2R,6S)-4-methylheptane-2,6-diol
• CAS: 233275-07-5
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: LFWYBPFYLUEUIJ-IEESLHIDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.16
• 重原子数：
  10.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (2R^*,4s^*,6S^*)-4-methyl-2,6-heptanediol 在 四氯化碳 、 三苯基膦 作用下， 以 乙腈 为溶剂， 以25%的产率得到(2R^*,4r^*,6S^*)-2,6-dichloro-4-methyl-heptane
  参考文献：
  名称：

  Conformation preferences in 2,4,6-trisubstituted heptanes

  摘要：

  The preference of (2R*,4r*,6S*)-2,4,6-trichloroheptane (6) for populating the fully extended conformation mirrors the local conformational preferences of the 2,4-dichloropentane subunits. Likewise, the preference of (2R*,4r*,6S*)-2,6-dichloro-4-methyl-heptane (9) to populate the extended conformation mirrors that of the 2-chloro-4-methyl-heptane subunits. There is therefore no cooperative effect (neither positive nor negative) between the 2,4-disubstituted pentane subunits in determining the conformer preferences of the 2,4,6-trisubstituted heptanes studied. (C) Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00349-x
• 作为产物：
  描述：

  (2R^*,4s^*,6S^*)-2,6-dibenzoyloxy-4-methyl-heptane 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以94%的产率得到(2R^*,4s^*,6S^*)-4-methyl-2,6-heptanediol
  参考文献：
  名称：

  Conformation preferences in 2,4,6-trisubstituted heptanes

  摘要：

  The preference of (2R*,4r*,6S*)-2,4,6-trichloroheptane (6) for populating the fully extended conformation mirrors the local conformational preferences of the 2,4-dichloropentane subunits. Likewise, the preference of (2R*,4r*,6S*)-2,6-dichloro-4-methyl-heptane (9) to populate the extended conformation mirrors that of the 2-chloro-4-methyl-heptane subunits. There is therefore no cooperative effect (neither positive nor negative) between the 2,4-disubstituted pentane subunits in determining the conformer preferences of the 2,4,6-trisubstituted heptanes studied. (C) Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00349-x