4-formyl-N,N,N-trimethyl-benzenaminium p-toluenesulfonate | 28129-11-5

• 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: 4-formyl-N,N,N-trimethyl-benzenaminium p-toluenesulfonate
• 英文别名: (4-Formylphenyl)-trimethylazanium;4-methylbenzenesulfonate
• CAS: 28129-11-5
• 化学式: C₇H₇O₃S*C₁₀H₁₄NO
• 分子量: 335.424
• InChiKey: NSNKMNDSCFVJTO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  82.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  silver(I) 4-methylbenzenesulfonate 、 4-甲酰基-N,N,N-三甲基苯铵碘化物 以 水 为溶剂， 反应 4.0h， 以98%的产率得到4-formyl-N,N,N-trimethyl-benzenaminium p-toluenesulfonate
  参考文献：
  名称：

  Preparation of quarternary ammonium salt-tagged ferrocenylphosphine-imine ligands and their application to palladium-catalyzed asymmetric allylic substitution

  摘要：

  A series of novel quarternary ammonium salt-modified chiral ferrocenylphosphine-imine ligands have been synthesized and the molecular structure of BIT5 has been determined by single-crystal X-ray diffraction. The applicability of these ligands in asymmetric C*-C and C*-N bond formation was demonstrated. High enantioselectivity was obtained in the Pd-catalyzed asymmetric substitution of 1,3-diphenyl-2-propenyl acetate, with dimethyl malonate (up to 94.6% ee) and benzylamine (up to 92.6% ee). (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetasy.2010.05.047