(2R,4S)-2,4-Dimethyl-heptane-1,6-diol | 261513-70-6

• 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)-2,4-Dimethyl-heptane-1,6-diol
• CAS: 261513-70-6
• 化学式: C₉H₂₀O₂
• 分子量: 160.257
• InChiKey: HKDCJFMIDIYZGL-ZQTLJVIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.41
• 重原子数：
  11.0
• 可旋转键数：
  5.0
• 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：

  苯甲酰氯 、 (2R,4S)-2,4-Dimethyl-heptane-1,6-diol 在 4-二甲氨基吡啶 、 三乙胺 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到Benzoic acid (2R,4S)-2,4-dimethyl-6-oxo-heptyl ester
  参考文献：
  名称：

  Absolute Configuration of Scyphostatin

  摘要：

  [GRAPHICS]The absolute configuration of the side chain of scyphostatin (1) has been established. The chemical degradation of 1 gave 4 and 9, which correspond to the C7'-C12' and C13'-C16' fragments of the natural products, respectively. The spectroscopic data and [alpha](D) values of both compounds were compared to those of authentic samples. The results show that the absolute configuration of 1 is 8'R,10'S,14'R.

  DOI：

  10.1021/ol991351p
• 作为产物：
  描述：

  (2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-tetramethylhexadeca-2,4,6,12-tetraenoic acid methyl ester 在 臭氧 作用下， 以 甲醇 为溶剂， 以33%的产率得到(2R,4S)-2,4-Dimethyl-heptane-1,6-diol
  参考文献：
  名称：

  Absolute Configuration of Scyphostatin

  摘要：

  [GRAPHICS]The absolute configuration of the side chain of scyphostatin (1) has been established. The chemical degradation of 1 gave 4 and 9, which correspond to the C7'-C12' and C13'-C16' fragments of the natural products, respectively. The spectroscopic data and [alpha](D) values of both compounds were compared to those of authentic samples. The results show that the absolute configuration of 1 is 8'R,10'S,14'R.

  DOI：

  10.1021/ol991351p