1,4,7-triisopropyl-1,4,7-triazonane trifluoromethanesulfonate | 683812-55-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 1,4,7-triisopropyl-1,4,7-triazonane trifluoromethanesulfonate
• CAS: 683812-55-7
• 化学式: CHF₃O₃S*C₁₅H₃₃N₃
• 分子量: 405.525
• InChiKey: DEQXIADBWFMIJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  64.09
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  bis[dimethyl(μ-dimethylsulfide)platinum(II)] 、 1,4,7-triisopropyl-1,4,7-triazonane trifluoromethanesulfonate 、 1,4,7-三氮杂环-N,N',N''-三异丙基壬烷 以 氘代四氢呋喃 为溶剂， 生成 [PtHMe2(1,4,7-triisopropyl-1,4,7-triazacyclononane)](CF3S3)
  参考文献：
  名称：

  摘要：

  The complex bis(mu-dimethyl sulfido)tetramethyldiplatinum(II) reacts with 1,4,7-triisopropyl-1,4,7-triazacyclopropanone (L) over the course of 24 h at room temperature in THF-d(8) to give [PtMe2(L)] and PtMe2(SMe2)(2). Subsequent addition of I mol of trifluoromethanesulfonic acid results in immediate formation of a previously unknown stable cationic complex [PtMe2H(L)]+SO3CF3-. This product can also be prepared by. oxidative addition of the N-H bond of LH+SO3CF3- to the starting complex, which points to a higher basicity of the platinum atom in [PtMe2(L)] compared with the nitrogen atom in the ligand L. The pK(a) of the cationic hydride of platinum(IV) was estimated.

  DOI：

  10.1023/a:1026376012458