2,2,4,4-tetrachloro-6,6-bis(4-methylphenylthio)cyclotriphosphazene | 28049-34-5

• 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: 2,2,4,4-tetrachloro-6,6-bis(4-methylphenylthio)cyclotriphosphazene
• 英文别名: 2,2,4,4-Tetrachloro-6,6-bis[(4-methylphenyl)sulfanyl]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene；2,2,4,4-tetrachloro-6,6-bis[(4-methylphenyl)sulfanyl]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• CAS: 28049-34-5
• 化学式: C₁₄H₁₄Cl₄N₃P₃S₂
• 分子量: 523.151
• InChiKey: BARCOPOGHZQANY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  87.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-甲苯硫酚 在 六氯环三磷腈 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成 2,2,4,4-tetrachloro-6,6-bis(4-methylphenylthio)cyclotriphosphazene
  参考文献：
  名称：

  Synthesis of Arylthiochlorocyclotriphosphazenes

  摘要：

  We investigated the reaction between hexachlorocyclotriphosphazene ((NPCl2)(3): HCCP) and thiols in the presence of bases. In MeCN/Et3N, two and/or four arylthio units were introduced in gem-mode selectively by controlling the amount of thiols: thus, HCCP was treated with 2 and/or 4 equivalents of ArSH/Et3N in MeCN to afford 2,2-dithiolated and/or 2,2,4,4-tetrathiolated products, respectively. Neither mono-thiosubstituted products, tri-thiosubstituted products, nor regioisomers (non-geminal products) were obtained. In contrast, when other solvents such as THE and Et2O or other bases such as NaH or K2CO3 were used, a mixture of dithiolated products, tetrathiolated products, and hexathiolated products was obtained.

  DOI：

  10.3987/com-19-14100