| 147050-78-0

• 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
• CAS: 147050-78-0
• 化学式: CF₃O₃S*C₄₄H₄₈P₄RhS
• 分子量: 984.802
• InChiKey: VSWJFVWDNHNRDD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  58.0
• 可旋转键数：
  7.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  57.2
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  (tris(2-(diphenylphosphino)ethyl)phosphine)rhodium methylthiolate 、 三氟甲烷磺酸甲酯 以 四氢呋喃 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Synthesis of a rhodium methylthiolate and insertion of CS2 into the Rh—SCH3 bond. Structure of the thioxanthate [(pp3)RhSC(S)SCH3] [pp3 = tris(2-(diphenylphosphino)ethyl)phosphine]

  摘要：

  The reaction between the (pp3)Rh(I) fragment [PP3 = tris(2-(diphenylphosphino)ethyl)phosphine, P(CH2CH2PPh2)3] and NaSCH, readily yields the methylthiolate derivative [(pp3)RhSCH3]. The sulphur atom of this compound is attacked by the electrophile CF3SO3CH3 to yield the stable dimethylsulphide complex [(pp3)RhS(CH3)2]CF3SO3. Furthermore, the rhodium methylthiolate undergoes CS2 insertion to form the thioxanthate [(pp3)RhSC(S)SCH3], Which has been characterized by a complete X-ray crystallographic analysis.

  DOI：

  10.1016/s0277-5387(00)87047-3