S-2-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinanyl)-S'-(thioisobutyryl)-2-methyl-1-propeno-1,1-dithiol

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机二硫代磷酸及其衍生物
• 英文名称: S-2-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinanyl)-S'-(thioisobutyryl)-2-methyl-1-propeno-1,1-dithiol
• 英文别名: [1-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanyl]-2-methylprop-1-enyl] 2-methylpropanedithioate；[1-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-2-methylprop-1-enyl] 2-methylpropanedithioate
• 化学式: C₁₃H₂₃O₂PS₄
• 分子量: 370.562
• InChiKey: UAYPKYBRRSNQBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5,5-dimethyl-2-thiolo-2-thiono-1,3,2-dioxaphosphorinane 在 2-thiolo-2-thiono-1,3,2-dioxaphosphorinane 、 三乙胺 作用下， 以 苯 为溶剂， 反应 17.25h， 生成 S-2-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinanyl)-S'-(thioisobutyryl)-2-methyl-1-propeno-1,1-dithiol
  参考文献：
  名称：

  Unexpected Thioketene Derivative Formation During Thioacyl Dithiophosphate Synthesis

  摘要：

  The scope and limitations of the thioacylation method using thioacyl dithiophosphates were investigated. Thioacyl dithiophosphates are formed in the reaction of acyl dithiophosphates with dithiophosphoric acid. However when the acyl moiety contains two alpha-substituents then a thioketene derivative is formed thus lowering the yield of expected thioacyl dithiophosphate.

  DOI：

  10.1081/scc-120018942

文献信息

• Unexpected Thioketene Derivative Formation During Thioacyl Dithiophosphate Synthesis
  作者：Leszek Doszczak、Victor Ch. Kravtsov、Jan F. Biernat、Janusz Rachon

  DOI：10.1081/scc-120018942

  日期：2003.1.6

  The scope and limitations of the thioacylation method using thioacyl dithiophosphates were investigated. Thioacyl dithiophosphates are formed in the reaction of acyl dithiophosphates with dithiophosphoric acid. However when the acyl moiety contains two alpha-substituents then a thioketene derivative is formed thus lowering the yield of expected thioacyl dithiophosphate.