(3-(3,4,5-trimethoxyphenyl)oxiran-2-yl)methanol | 1231156-61-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (3-(3,4,5-trimethoxyphenyl)oxiran-2-yl)methanol
• CAS: 1231156-61-8
• 化学式: C₁₂H₁₆O₅
• 分子量: 240.256
• InChiKey: PINRUXGVNJGWRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.14
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.45
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (3-(3,4,5-trimethoxyphenyl)oxiran-2-yl)methanol 、 苯甲酸 在 titanium(IV) isopropylate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以85%的产率得到2,3-dihydroxy-1-(3,4,5-trimethoxyphenyl)propyl benzoate
  参考文献：
  名称：

  A new shortcut synthesis route for (±)raphidecursinol

  摘要：

  The new shortcut synthesis route of (+/-)raphidecursinol 1, a racemic 8,4'-oxyneolignan compound, can be more easily achieved by the synthesis route, starting front readily available inexpensive 3,4,5-trimethoxybenzaldehyde and 1,2,3-trihydroxybenzene. All structures were confirmed by (1)H NMR, IR and MS. (C) 2009 Yong Wu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2009.10.027
• 作为产物：
  描述：

  3-(3,4,5-三甲氧基苯基)-2-丙烯-1-醇 在 叔丁基过氧化氢 、 bis(acetylacetonate)oxovanadium 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以75%的产率得到(3-(3,4,5-trimethoxyphenyl)oxiran-2-yl)methanol
  参考文献：
  名称：

  A new shortcut synthesis route for (±)raphidecursinol

  摘要：

  The new shortcut synthesis route of (+/-)raphidecursinol 1, a racemic 8,4'-oxyneolignan compound, can be more easily achieved by the synthesis route, starting front readily available inexpensive 3,4,5-trimethoxybenzaldehyde and 1,2,3-trihydroxybenzene. All structures were confirmed by (1)H NMR, IR and MS. (C) 2009 Yong Wu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2009.10.027

文献信息

• A new shortcut synthesis route for (±)raphidecursinol
  作者：Hua Jie Yuan、Yao Yao Cheng、Shan Qian、Xiang Xiao、Yong Wu

  DOI：10.1016/j.cclet.2009.10.027

  日期：2010.2

  The new shortcut synthesis route of (+/-)raphidecursinol 1, a racemic 8,4'-oxyneolignan compound, can be more easily achieved by the synthesis route, starting front readily available inexpensive 3,4,5-trimethoxybenzaldehyde and 1,2,3-trihydroxybenzene. All structures were confirmed by (1)H NMR, IR and MS. (C) 2009 Yong Wu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.