2,11-dimethyl-dodeca-5t,7t-diene | 57404-72-5

• 英文名称: 2,11-dimethyl-dodeca-5t,7t-diene
• 英文别名: 2,11-Dimethyl-(5E,7E)-5,7-dodecadien；(5E,7E)-2,11-dimethyldodeca-5,7-diene
• CAS: 57404-72-5
• 化学式: C₁₄H₂₆
• 分子量: 194.36
• InChiKey: FEZDKGVQZLRNNK-KQQUZDAGSA-N

物化性质

• 沸点：
  250.2±7.0 °C(Predicted)
• 密度：
  0.784±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.97
• 重原子数：
  14.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  2,11-dimethyl-dodeca-5t,7t-diene 在 sodium hydroxide 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 苯 为溶剂， 反应 22.0h， 生成
  参考文献：
  名称：

  ACAT inhibitors derived from hetero-Diels-Alder cycloadducts of thioaldehydes

  摘要：

  Acyl-CoA:cholesterol acyltransferase (ACAT) is the enzyme largely responsible for intracellular cholesterol esterification. A systemic inhibitor of ACAT is believed to be able to slow or even reverse the atherosclerotic process. Towards that goal, a series of cyclic sulfides, derived from the hetero-Diels-Alder reaction of thioaldehydes with 1,3-dienes, and bearing carboxamide substituents, were prepared and evaluated for in vitro (in several tissues and species) and ex vivo ACAT inhibition. Minor changes in subsequent structure were found to have a significant effect in optimization of the biological activity of this series of compounds. Copyright (C) 1996 The DuPont Merck Pharmaceutical Company.

  DOI：

  10.1016/0968-0896(96)00143-5
• 作为产物：
  描述：

  5-甲基-1-已炔 在 乙醚 、 methylcopper 、 氯硼烷 作用下， 生成 2,11-dimethyl-dodeca-5t,7t-diene
  参考文献：
  名称：

  Reaction of alkenylboranes with methylcopper. A convenient new procedure for the synthesis of symmetrical (E,E)-1,3-dienes

  摘要：

  DOI：

  10.1021/ja00459a021