2-(2-acetoxy-5-(2-chloroethyl)benzyl)phenyl acetate | 1243680-26-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-acetoxy-5-(2-chloroethyl)benzyl)phenyl acetate
• 英文别名: [2-[(2-Acetyloxyphenyl)methyl]-4-(2-chloroethyl)phenyl] acetate
• CAS: 1243680-26-3
• 化学式: C₁₉H₁₉ClO₄
• 分子量: 346.81
• InChiKey: DPPYOCVBCIARHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(2-chloroethyl)-2-(2-hydroxybenzyl)phenol 、 乙酸酐 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 17.0h， 以64%的产率得到2-(2-acetoxy-5-(2-chloroethyl)benzyl)phenyl acetate
  参考文献：
  名称：

  Development of chemical probes: Toward the mode of action of a methylene-linked di(aryl acetate) E1

  摘要：

  Analogues of the novel inhibitor of the PI3-K/PKB pathway, 2-[5-(2-chloroethyl)-2-acetoxy-benzyl]-4-(2-chloroethyl)-phenyl acetate (E1), have been prepared and preliminary SAR performed. This established that at least one of the chloroethyl para-substituents could be removed or modified and the ability to inhibit PKB/Akt activation retained. Synthetic methodologies were then developed to methylene-linked aryl acetates for use as molecular probes to identify the target of compound E1. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.017

文献信息

• Development of chemical probes: Toward the mode of action of a methylene-linked di(aryl acetate) E1
  作者：Mark E.B. Smith、Richard M. Gunn、Evelyn Rosivatz、Lok H. Mak、Rüdiger Woscholski、Helen C. Hailes

  DOI：10.1016/j.bmc.2010.06.017

  日期：2010.7

  Analogues of the novel inhibitor of the PI3-K/PKB pathway, 2-[5-(2-chloroethyl)-2-acetoxy-benzyl]-4-(2-chloroethyl)-phenyl acetate (E1), have been prepared and preliminary SAR performed. This established that at least one of the chloroethyl para-substituents could be removed or modified and the ability to inhibit PKB/Akt activation retained. Synthetic methodologies were then developed to methylene-linked aryl acetates for use as molecular probes to identify the target of compound E1. (C) 2010 Elsevier Ltd. All rights reserved.