邻氯甲基苄基膦酸二乙酯 | 1419383-21-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 邻氯甲基苄基膦酸二乙酯
• 英文名称: diethyl o-chloromethylbenzylphosphonate
• 英文别名: 1-(chloromethyl)-2-(diethoxyphosphorylmethyl)benzene
• CAS: 1419383-21-3
• 化学式: C₁₂H₁₈ClO₃P
• 分子量: 276.7
• InChiKey: DZKXHLCKNMQBQL-UHFFFAOYSA-N

物化性质

• 沸点：
  378.6±30.0 °C(Predicted)
• 密度：
  1.170±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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

• 作为反应物：
  描述：

  邻氯甲基苄基膦酸二乙酯 在 sodium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以73%的产率得到2-oxo-2-ethoxy-4,5-benzo-1,2-oxaphosphorine
  参考文献：
  名称：

  ω-haloalkylphosphoryl compounds: Synthesis and properties

  摘要：

  A general method of the synthesis of omega-haloalkylphosphoryl compounds was developed, a series of compounds of phosphonic and phosphine oxide type were synthesized. The ability of some omega-haloalkylphosphonates to undergo intramolecular cyclization into the corresponding 1,2-oxaphospholane and 1,2-oxaphosphorine was investigated depending on the solvent polarity, the presence of halogen ions in the solution, and temperature. Tetrahydrofuran was chosen as one of the most suitable solvents for the alkylation of CH acids with omega-haloalkylphosphoryl compounds.

  DOI：

  10.1134/s1070363212120055
• 作为产物：
  描述：

  邻二氯苄 、 亚磷酸三乙酯 以 甲苯 为溶剂， 反应 1.17h， 以53%的产率得到邻氯甲基苄基膦酸二乙酯
  参考文献：
  名称：

  ω-haloalkylphosphoryl compounds: Synthesis and properties

  摘要：

  A general method of the synthesis of omega-haloalkylphosphoryl compounds was developed, a series of compounds of phosphonic and phosphine oxide type were synthesized. The ability of some omega-haloalkylphosphonates to undergo intramolecular cyclization into the corresponding 1,2-oxaphospholane and 1,2-oxaphosphorine was investigated depending on the solvent polarity, the presence of halogen ions in the solution, and temperature. Tetrahydrofuran was chosen as one of the most suitable solvents for the alkylation of CH acids with omega-haloalkylphosphoryl compounds.

  DOI：

  10.1134/s1070363212120055