4-(2-chloroethyl)-2-iodophenol | 1243680-57-0

• 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-iodophenol
• CAS: 1243680-57-0
• 化学式: C₈H₈ClIO
• 分子量: 282.508
• InChiKey: OKRGUSDQVQEMHB-UHFFFAOYSA-N

物化性质

• 沸点：
  292.4±30.0 °C(Predicted)
• 密度：
  1.832±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(2-chloroethyl)-2-iodophenol 、 乙酸酐 在 4-二甲氨基吡啶 、 三乙胺 作用下， 反应 17.0h， 以91%的产率得到4-(2-chloroethyl)-2-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 在 sodium hypochlorite 、 sodium iodide 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以46%的产率得到4-(2-chloroethyl)-2-iodophenol
  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

• BIS-TRIAZOLE COMPOUNDS WITH ANTI-BIOFILM AND ANTI-CORROSION PROPERTIES
  申请人：Université de Toulon

  公开号：EP3390370B1

  公开（公告）日：2021-02-03
• Bis-Triazole Compounds with Anti-Biofilm and Anti-Corrosion Properties
  申请人：Université de Toulon

  公开号：US20180370953A1

  公开（公告）日：2018-12-27

  The present invention deals with novel bis-triazole compounds (I), compositions comprising said compounds, and their uses as a medicament, an antibacterial agent, an anti-biofilm agent, an anti-fouling agent and/or an anti-corrosion agent.
• [EN] BIS-TRIAZOLE COMPOUNDS WITH ANTI-BIOFILM AND ANTI-CORROSION PROPERTIES<br/>[FR] COMPOSÉS DE BIS-TRIAZOLE PRÉSENTANT DES PROPRIÉTÉS ANTI-BIOFILM ET ANTI-CORROSION
  申请人：UNIVERSITÉ DE TOULON

  公开号：WO2017102883A1

  公开（公告）日：2017-06-22

  The present invention deals with novel bis-triazole compounds (I), compositions comprising said compounds, and their uses as a medicament, an antibacterial agent, an anti-biofilm agent, an anti- fouling agent and/or an anti-corrosion agent.