(1R)-6-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-vinyl-2,4-hexadiynyl alcohol | 252188-62-8

• 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: (1R)-6-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-vinyl-2,4-hexadiynyl alcohol
• 英文别名: (3R,9S,10S)-panaxytriol acetonide；(3R)-8-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-4,6-diyn-3-ol
• CAS: 252188-62-8
• 化学式: C₂₀H₃₀O₃
• 分子量: 318.456
• InChiKey: JVJTWOPEMAGFNK-QYZOEREBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1R)-6-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-vinyl-2,4-hexadiynyl alcohol 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 (3R,9S,10S)-1-heptadecen-4,6-diyne-3,9,10-triol
  参考文献：
  名称：

  Synthesis of a new type of antitumour agent panaxytriol: Synthesis of its four diastereomers

  摘要：

  Synthesis of four diastereomers of panaxytriol has been described. The basic objective is to create two acetylenic precursors followed by cuprous chloride mediated C-C bond coupling reaction. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00732-2
• 作为产物：
  描述：

  6-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-vinyl-2,4-hexadiynyl alcohol 在 吡啶 、 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 (1R)-6-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-vinyl-2,4-hexadiynyl alcohol
  参考文献：
  名称：

  Synthesis of a new type of antitumour agent panaxytriol: Synthesis of its four diastereomers

  摘要：

  Synthesis of four diastereomers of panaxytriol has been described. The basic objective is to create two acetylenic precursors followed by cuprous chloride mediated C-C bond coupling reaction. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00732-2

文献信息

• Synthesis of a new type of antitumour agent panaxytriol: Synthesis of its four diastereomers
  作者：Mukund K Gurjar、V Sylesh Kumar、B Venkateswara Rao

  DOI：10.1016/s0040-4020(99)00732-2

  日期：1999.10

  Synthesis of four diastereomers of panaxytriol has been described. The basic objective is to create two acetylenic precursors followed by cuprous chloride mediated C-C bond coupling reaction. (C) 1999 Elsevier Science Ltd. All rights reserved.