3,6-octadiyn-1-ol | 65050-33-1

• 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: 3,6-octadiyn-1-ol
• 英文别名: octa-3,6-diyn-1-ol
• CAS: 65050-33-1
• 化学式: C₈H₁₀O
• 分子量: 122.167
• InChiKey: BUZMUNXHSSAEME-UHFFFAOYSA-N

物化性质

• 沸点：
  100 °C(Press: 10 Torr)
• 密度：
  0.979±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.79
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3,6-octadiyn-1-ol 在 Pd-BaSO₄ 氢气 作用下， 以 吡啶 为溶剂， 以76%的产率得到(3Z,6Z)-3,6-octadien-1-ol
  参考文献：
  名称：

  Preparation of Oxepanes, Oxepenes, and Oxocanes by Iodoetherification using Bis(sym-collidine)iodine(I) Hexafluorophosphate as Electrophile

  摘要：

  Oxepanes have been obtained in good yields (40-95%) by iodoetherification of unsaturated alcohols using bis(sym-collidine)iodine(I) hexafluorophosphate (1) as electrophile, either by 7-exo-mode or 7-endo-mode cyclizations. 4-Oxepenes could also be formed from 4,6-heptadien-1-ols; the presence of a substituent on the carbon 6 appeared necessary, while for steric reasons the presence of a substituent on the carbon 7 was unfavorable. Oxocanes could be obtained in moderate yields (18-27%).

  DOI：

  10.1021/jo960506t
• 作为产物：
  描述：

  1-溴-2-丁炔 、 3-丁炔-1-醇 在 copper(l) chloride 四丁基氯化铵 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以47%的产率得到3,6-octadiyn-1-ol
  参考文献：
  名称：

  Preparation of Oxepanes, Oxepenes, and Oxocanes by Iodoetherification using Bis(sym-collidine)iodine(I) Hexafluorophosphate as Electrophile

  摘要：

  Oxepanes have been obtained in good yields (40-95%) by iodoetherification of unsaturated alcohols using bis(sym-collidine)iodine(I) hexafluorophosphate (1) as electrophile, either by 7-exo-mode or 7-endo-mode cyclizations. 4-Oxepenes could also be formed from 4,6-heptadien-1-ols; the presence of a substituent on the carbon 6 appeared necessary, while for steric reasons the presence of a substituent on the carbon 7 was unfavorable. Oxocanes could be obtained in moderate yields (18-27%).

  DOI：

  10.1021/jo960506t

文献信息

• TADAHIKO KAJIWARA; JIRO SEKIYA; YOSHINOBU ODAKE; AKIKAZU HATANAKA, AGR. AND BIOL. CHEM., 1977, 41, NO 8, 1481-1484
  作者：TADAHIKO KAJIWARA、 JIRO SEKIYA、 YOSHINOBU ODAKE、 AKIKAZU HATANAKA

  DOI：——

  日期：——