2,4-Bis-(4-methoxyphenyl)-2,4-dithiono-1,5-dioxa-3-thio-2,4-diphosphetane | 147819-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4-Bis-(4-methoxyphenyl)-2,4-dithiono-1,5-dioxa-3-thio-2,4-diphosphetane
• 英文别名: 2,4-Bis(4-methoxyphenyl)-1,5,3,2,4-dioxathiadiphosphepane 2,4-disulfide；2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,5,3,2λ5,4λ5-dioxathiadiphosphepane
• CAS: 147819-28-1
• 化学式: C₁₆H₁₈O₄P₂S₃
• 分子量: 432.462
• InChiKey: JPGYAYPPBVKALA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  劳森试剂 、 乙二醇 以 乙腈 为溶剂， 反应 12.0h， 以20%的产率得到硫代乙酰胺
  参考文献：
  名称：

  Organophosphorus compounds XIII. The reaction of 2,4-bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide (LR) with dihydric alcohols. A new route to 1,3,2-dioxaphosphorinane

  摘要：

  2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide (Lawesson's Reagent) and its p-phenoxy derivatives react with 1,2-ethanediols and 1,4-butanediol at different reaction temperatures in acetonitrile as a solvent to give 1,3,2-dioxaphosphorinane-2-sulfide, thioacetamide and cyclic trithiopyrophosphonate. Compatible analytical and spectroscopic data were obtained for all the new compounds. A mechanism is proposed to explain the formation of compounds 5, 6, 7, 9 and 11. Reaction of 5a with LR gave 1,3,2-dithiaphosphorinane-2-sulfide.

  DOI：

  10.1016/s0040-4020(01)85817-8