(E)-methyl 3-(3-butyl-2-(((tert-butyldimethylsilyl)oxy)methyl)-1-hydroxycyclohex-2-en-1-yl)acrylate | 1366469-97-7

• 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: (E)-methyl 3-(3-butyl-2-(((tert-butyldimethylsilyl)oxy)methyl)-1-hydroxycyclohex-2-en-1-yl)acrylate
• CAS: 1366469-97-7
• 化学式: C₂₁H₃₈O₄Si
• 分子量: 382.616
• InChiKey: WTAUZDVWWIDCMZ-FYWRMAATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-methyl 3-(3-butyl-2-(((tert-butyldimethylsilyl)oxy)methyl)-1-hydroxycyclohex-2-en-1-yl)acrylate 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以55.5 mg的产率得到6-butyl-3,3a,5,7,8,9-hexahydro-2H-furo[3,2-c]isobenzofuran-2-one
  参考文献：
  名称：

  Syntheses of structurally-simplified and fluorescently-labeled neovibsanin derivatives and analysis of their neurite outgrowth activity in PC12 cells

  摘要：

  The syntheses of several neovibsanin derivatives were carried out in order to elucidate the simple structure required for displaying neurite outgrowth activity. In addition, a fluorescent probe molecule was synthesized and the analysis of its behavior in the PC12 cell line showed that the neovibsanins accumulate on the outer edge of the cell at the site of formation of prominences. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.006
• 作为产物：
  描述：

  4,6,7,8-tetrahydro-5H-1,3-benzodioxin-5-one 在 盐酸 、 4-二甲氨基吡啶 、 正丁基锂 、 三乙胺 、 二异丙胺 、 红铝 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 3.83h， 生成 (E)-methyl 3-(3-butyl-2-(((tert-butyldimethylsilyl)oxy)methyl)-1-hydroxycyclohex-2-en-1-yl)acrylate
  参考文献：
  名称：

  Syntheses of structurally-simplified and fluorescently-labeled neovibsanin derivatives and analysis of their neurite outgrowth activity in PC12 cells

  摘要：

  The syntheses of several neovibsanin derivatives were carried out in order to elucidate the simple structure required for displaying neurite outgrowth activity. In addition, a fluorescent probe molecule was synthesized and the analysis of its behavior in the PC12 cell line showed that the neovibsanins accumulate on the outer edge of the cell at the site of formation of prominences. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.006