Dimethyl-2-Cl-2-methoxycarbonylethylphosphonat | 61264-40-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: Dimethyl-2-Cl-2-methoxycarbonylethylphosphonat
• 英文别名: Methyl 2-chloro-2-(dimethoxyphosphoryl)propanoate；methyl 2-chloro-2-dimethoxyphosphorylpropanoate
• CAS: 61264-40-2
• 化学式: C₆H₁₂ClO₅P
• 分子量: 230.585
• InChiKey: RHADYPHKLLPWEB-UHFFFAOYSA-N

物化性质

• 沸点：
  267.4±30.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲醇 、 alpha-chloro-alpha-(dichlorophosphoryl)propionic acid chloride 生成 Dimethyl-2-Cl-2-methoxycarbonylethylphosphonat
  参考文献：
  名称：

  Reactions of α-Chloro-α-phosphonopropionic Acid Trichloride with Nucleophilic Reagents

  摘要：

  Alcoholysis of alpha-chloro-alpha-phosphonopropionic acid trichloride with allyl and propargyl alcohols was studied. It was found that the reaction proceeded selectively at the carbonyl carbon atom. The reaction of alpha-chloro-alpha-phosphonopropionic acid trichloride with triethyl phosphite yielded alpha-methyl-beta-diethylphosphatovinylphosphonic acid dichloride. A method was proposed for the synthesis of previously unknown phosphonobarbiturates and of a number of other phosphorus-containing heterocycles via the reaction of alpha-chloro-alpha-phosphonopropionic acid trichloride with urea or thiourea in the presence of pyridine. In all the cases, complex salts of pyridine with alpha-chloro-alpha-phosphonopropionic acid were isolated from the aqueous phase and characterized. The reaction of the trichloride with dimethyl sulfoxide involved its sulfur and oxygen atoms.

  DOI：

  10.1134/s1070363220080113

文献信息

• Reactions of α-Chloro-α-phosphonopropionic Acid Trichloride with Nucleophilic Reagents
  作者：G. E. Allakhverdieva、V. M. Ismailov、I. A. Mamedov、R. K. Askerov、N. N. Yusubov

  DOI：10.1134/s1070363220080113

  日期：2020.8

  Alcoholysis of alpha-chloro-alpha-phosphonopropionic acid trichloride with allyl and propargyl alcohols was studied. It was found that the reaction proceeded selectively at the carbonyl carbon atom. The reaction of alpha-chloro-alpha-phosphonopropionic acid trichloride with triethyl phosphite yielded alpha-methyl-beta-diethylphosphatovinylphosphonic acid dichloride. A method was proposed for the synthesis of previously unknown phosphonobarbiturates and of a number of other phosphorus-containing heterocycles via the reaction of alpha-chloro-alpha-phosphonopropionic acid trichloride with urea or thiourea in the presence of pyridine. In all the cases, complex salts of pyridine with alpha-chloro-alpha-phosphonopropionic acid were isolated from the aqueous phase and characterized. The reaction of the trichloride with dimethyl sulfoxide involved its sulfur and oxygen atoms.