1-mercaptopropyldimethylbenzylammonium bromide | 133705-48-3

• 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: 1-mercaptopropyldimethylbenzylammonium bromide
• 英文别名: 3-mercaptopropylbenzyldimethylammonium bromide
• CAS: 133705-48-3
• 化学式: Br*C₁₂H₂₀NS
• 分子量: 290.268
• InChiKey: WKFLRNXGFFXLGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.41
• 重原子数：
  15.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0.0
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  di-μ-chloro-bis(1,5-cyclooctadiene)dirhodium 、 1-mercaptopropyldimethylbenzylammonium bromide 在 NaOH or KOC(CH₃)3 作用下， 以 甲醇 、 乙腈 为溶剂， 以93%的产率得到
  参考文献：
  名称：

  Catalytic hydroformylation of alkenes with cationic dinuclear rhodium(I) complexes, and the effect of the couter ions

  摘要：

  The complexes [Rh2(mu-L)2L'2L"2] A2 (L = S(CH2)3N(CH3)2(CH2C6H5), derived from 3-mercaptopropylbenzyldimethylammonium bromide; L' = L" = 1/2 cyclooctadiene (cod) or L' = L" = CO or L' = CO and L" = PPh3; A = Br, PF6) have been prepared in good yield from [Rh2(mu-Cl)2(cod)2] by simple ligand substitution methods. The hexafluorophosphates catalyse hydroformylation of 1-heptene under mild conditions, and with no hydrogenation side products, in the presence of various phosphorous ligands as cocatalysts. In contrast, none of the bromides exhibited catalytic activity and furthermore addition of tetrabuthylammonium bromide to a working catalytic system quenched the reaction. The poisoning effect of bromide is discussed in terms of the formation of a labile pentacoordinated species, as indicated by the IR spectra in the sensitive carbonyl region.

  DOI：

  10.1016/0022-328x(91)86488-c