4-chlorophenyl ethyl butylphosphonate | 959222-66-3

• 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: 4-chlorophenyl ethyl butylphosphonate
• 英文别名: Butylphosphonic acid, 4-chlorophenyl ethyl ester；1-[butyl(ethoxy)phosphoryl]oxy-4-chlorobenzene
• CAS: 959222-66-3
• 化学式: C₁₂H₁₈ClO₃P
• 分子量: 276.7
• InChiKey: ORZBXASJDMMOKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-丁基膦酸二乙酯 、 (4-chlorophenyl)(mesityl)iodonium triflate 在 2,6-二叔丁基吡啶 、 copper(l) chloride 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到4-chlorophenyl ethyl butylphosphonate
  参考文献：
  名称：

  Copper-Catalyzed Synthesis of Mixed Alkyl Aryl Phosphonates

  摘要：

  Copper-catalysis allows the direct oxygenarylation of dialkyl phosphonates with diaryliodonium salts. This novel methodology proceeds with a wide range of phosphonates and phosphoramidates under mild conditions and gives straightforward access to valuable mixed alkyl aryl phosphonates in very good yields and near perfect selectivity.

  DOI：

  10.1021/ja505281v

文献信息

• Copper-Catalyzed Synthesis of Mixed Alkyl Aryl Phosphonates
  作者：Martín Fañanás-Mastral、Ben L. Feringa

  DOI：10.1021/ja505281v

  日期：2014.7.16

  Copper-catalysis allows the direct oxygenarylation of dialkyl phosphonates with diaryliodonium salts. This novel methodology proceeds with a wide range of phosphonates and phosphoramidates under mild conditions and gives straightforward access to valuable mixed alkyl aryl phosphonates in very good yields and near perfect selectivity.