S,S-diethyl 2,6-dimethoxyphenylphosphonotrithioate

• 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: S,S-diethyl 2,6-dimethoxyphenylphosphonotrithioate
• 英文别名: (2,6-Dimethoxyphenyl)-bis(ethylsulfanyl)-sulfanylidene-lambda5-phosphane；(2,6-dimethoxyphenyl)-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane
• 化学式: C₁₂H₁₉O₂PS₃
• 分子量: 322.453
• InChiKey: BIOMUOPFYVNJFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 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：
  101
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,6-dimethoxyphenylphosphirane 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 二氯甲烷 、 氘代苯 为溶剂， 反应 4.0h， 生成 S,S-diethyl 2,6-dimethoxyphenylphosphonotrithioate
  参考文献：
  名称：

  2,6-Dimethoxyphenylphosphirane Oxide and Sulfide and their Thermolysis to Phosphinidene Chalcogenides—Kinetic and Mechanistic Studies

  摘要：

  2,6-Dimethoxyphenylphosphirane is readily converted to its oxide and sulfide whose pyrolysis and (perhaps) photolysis lead to the generation of phosphinidene chalcogenides Ar-P=Z (Z=O,S). Trapping experiments were carried out under conditions similar to the kinetic studies of the phosphirane chalcogenide pyrolyses that confirmed the formation of free Ar-P=Z. The trapping experiments were in accord with carbene-like character for Ar-P=Z, and the activation parameters suggest a non-least motion pathway for the addition of Ar-P=Z to olefins. This represents quantitative evidence for the validity of the predictions of frontier-orbital theory for species that undergo reactions with small (or no) enthalpic barriers. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00779-6