4-(2-chloroethyl)-2-(2-hydroxy-5-iodobenzyl)phenol | 1243682-24-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(2-chloroethyl)-2-(2-hydroxy-5-iodobenzyl)phenol
• CAS: 1243682-24-7
• 化学式: C₁₅H₁₄ClIO₂
• 分子量: 388.632
• InChiKey: WKCPWLLIKMGVFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-(2-chloroethyl)-2-(2-hydroxy-5-iodobenzyl)phenol 、 乙酸酐 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 17.0h， 以81%的产率得到2-(2-acetoxy-5-(2-chloroethyl)benzyl)-4-iodophenyl 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
• 作为产物：
  描述：

  4-(2-氯乙基)苯酚 、 2-(羟基甲基)-4-碘苯酚 在 硫酸 作用下， 以 水 为溶剂， 反应 4.0h， 以33%的产率得到4-(2-chloroethyl)-2-(2-hydroxy-5-iodobenzyl)phenol
  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