2-(hydroxymethyl)-6-(2-((2-methoxybenzyl)oxy)ethyl)cyclohex-2-enone | 1366470-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-(hydroxymethyl)-6-(2-((2-methoxybenzyl)oxy)ethyl)cyclohex-2-enone
• CAS: 1366470-41-8
• 化学式: C₁₇H₂₂O₄
• 分子量: 290.359
• InChiKey: XHFWMHHYBVDYLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 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：

  2-(hydroxymethyl)-6-(2-((2-methoxybenzyl)oxy)ethyl)cyclohex-2-enone 、 叔丁基二甲基氯硅烷 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以98%的产率得到2-(((tert-butyldimethylsilyl)oxy)methyl)-6-(2-((2-methoxybenzyl)oxy)ethyl)cyclohex-2-en-1-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：

  2-甲氧基氯化苄 在 三丁基膦 、 二正丁基氧化锡 、 戴斯-马丁氧化剂 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 、 水 、 甲苯 为溶剂， 反应 9.0h， 生成 2-(hydroxymethyl)-6-(2-((2-methoxybenzyl)oxy)ethyl)cyclohex-2-enone
  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