(E)-tert-butyl((3-methyl-4-(2-(2-methylprop-1-en-1-yl)-1,3-dithian-2-yl)but-2-en-1-yl)oxy)diphenylsilane | 1207457-27-9

• 分子结构分类: 有机化合物
• 英文名称: (E)-tert-butyl((3-methyl-4-(2-(2-methylprop-1-en-1-yl)-1,3-dithian-2-yl)but-2-en-1-yl)oxy)diphenylsilane
• CAS: 1207457-27-9
• 化学式: C₂₉H₄₀OS₂Si
• 分子量: 496.853
• InChiKey: KENAYEDZDVTVAS-XIEYBQDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.43
• 重原子数：
  33.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-tert-butyl((3-methyl-4-(2-(2-methylprop-1-en-1-yl)-1,3-dithian-2-yl)but-2-en-1-yl)oxy)diphenylsilane 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 (E)-3-methyl-4-[2-(2-methylprop-1-enyl)-1,3-dithian-2-yl]but-2-en-1-ol
  参考文献：
  名称：

  Total synthesis and biological evaluation of methylgerambullone

  摘要：

  First total synthesis of methylgerambullone (MGB, 1) isolated from Glycosmis angustifolia was completed via a convergent route. The effect of MGB on the contractile responses of the isolated guinea-pig ileum induced by acetylcholine was investigated. As a result, it showed a potent relaxation rate (78.66 +/- 4.30% at 100 mg/L) in a concentration-dependent manner on longitudinal smooth muscle contraction of isolated guinea-pig ileum induced by 1 mu M acetylcholine. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.040
• 作为产物：
  描述：

  2-(2-methylprop-1-enyl)-1,3-dithiane 、 (E)-[(4-bromo-3-methylbut-2-ene-1-yl)oxy](t-butyl)diphenylsilane 在 叔丁基锂 作用下， 反应 4.0h， 生成 (E)-tert-butyl((3-methyl-4-(2-(2-methylprop-1-en-1-yl)-1,3-dithian-2-yl)but-2-en-1-yl)oxy)diphenylsilane
  参考文献：
  名称：

  Total synthesis and biological evaluation of methylgerambullone

  摘要：

  First total synthesis of methylgerambullone (MGB, 1) isolated from Glycosmis angustifolia was completed via a convergent route. The effect of MGB on the contractile responses of the isolated guinea-pig ileum induced by acetylcholine was investigated. As a result, it showed a potent relaxation rate (78.66 +/- 4.30% at 100 mg/L) in a concentration-dependent manner on longitudinal smooth muscle contraction of isolated guinea-pig ileum induced by 1 mu M acetylcholine. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.040