dimethyl (1-hydroxy-2,2-dimethylpropyl)phosphonothioate

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机硫代磷化合物
• 英文名称: dimethyl (1-hydroxy-2,2-dimethylpropyl)phosphonothioate
• 英文别名: 1-Dimethoxyphosphinothioyl-2,2-dimethylpropan-1-ol
• 化学式: C₇H₁₇O₃PS
• 分子量: 212.25
• InChiKey: DKSFZFMVYGFETQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  异氰酸甲酯 、 dimethyl (1-hydroxy-2,2-dimethylpropyl)phosphonothioate 在 dibutyltin(II) dilaurate 作用下， 以 甲苯 为溶剂， 以26%的产率得到dimethyl [1-(methylcarbamoyloxy)-2,2-dimethylpropyl]phosphonothioate
  参考文献：
  名称：

  The Preparation and Properties of Some α-Acyloxy- and α-Carbamoyloxy-Phosphonothionates

  摘要：

  New alpha-acyloxy and alpha-carbamoyloxy derivatives of dimethyl 2,2,2-trichloroethyl-phosphonothionate have been prepared, characterized, and screened for activity against free-living soil nematodes. Several of the more easily hydrolysable esters, and also the N-methylcarbamoyl derivative, were as active as the parent pesticide, dimethyl alpha-hydroxy-2, 2,2-trichloroethylphosphonothionate, after an induction period during which the active species is assumed to be released in vivo. It is concluded that the 2,2,2-trichloroethyl group is essential for activity in compounds of these types and that the presence of the N-methylcarbamoyl group does not in itself confer activity.

  DOI：

  10.1080/10426500307878
• 作为产物：
  描述：

  硫代膦酸二甲酯 、 特戊醛 在 aluminum oxide 作用下， 以66%的产率得到dimethyl (1-hydroxy-2,2-dimethylpropyl)phosphonothioate
  参考文献：
  名称：

  The Preparation and Properties of Some α-Acyloxy- and α-Carbamoyloxy-Phosphonothionates

  摘要：

  New alpha-acyloxy and alpha-carbamoyloxy derivatives of dimethyl 2,2,2-trichloroethyl-phosphonothionate have been prepared, characterized, and screened for activity against free-living soil nematodes. Several of the more easily hydrolysable esters, and also the N-methylcarbamoyl derivative, were as active as the parent pesticide, dimethyl alpha-hydroxy-2, 2,2-trichloroethylphosphonothionate, after an induction period during which the active species is assumed to be released in vivo. It is concluded that the 2,2,2-trichloroethyl group is essential for activity in compounds of these types and that the presence of the N-methylcarbamoyl group does not in itself confer activity.

  DOI：

  10.1080/10426500307878

文献信息

• The Preparation and Properties of Some α-Acyloxy- and α-Carbamoyloxy-Phosphonothionates
  作者：Harry R. Hudson、Zsuzsa M. Jászay、Max Pianka

  DOI：10.1080/10426500307878

  日期：2003.7

  New alpha-acyloxy and alpha-carbamoyloxy derivatives of dimethyl 2,2,2-trichloroethyl-phosphonothionate have been prepared, characterized, and screened for activity against free-living soil nematodes. Several of the more easily hydrolysable esters, and also the N-methylcarbamoyl derivative, were as active as the parent pesticide, dimethyl alpha-hydroxy-2, 2,2-trichloroethylphosphonothionate, after an induction period during which the active species is assumed to be released in vivo. It is concluded that the 2,2,2-trichloroethyl group is essential for activity in compounds of these types and that the presence of the N-methylcarbamoyl group does not in itself confer activity.