1-{N-[2-(4-methylcyclohexa-1,4-dienyl)ethyl]-N-methylsulfamoyl}-2,3-dimethylimidazolium triflate | 1427565-80-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-{N-[2-(4-methylcyclohexa-1,4-dienyl)ethyl]-N-methylsulfamoyl}-2,3-dimethylimidazolium triflate
• CAS: 1427565-80-7
• 化学式: CF₃O₃S*C₁₅H₂₄N₃O₂S
• 分子量: 459.511
• InChiKey: DXBFRHUFZDJSAT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  103.39
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-{N-[2-(4-methylcyclohexa-1,4-dienyl)ethyl]-N-methylsulfamoyl}-2,3-dimethylimidazolium triflate 、 (1S,2S)-1,2-二苯基乙二胺 以 乙腈 为溶剂， 以1.31 g的产率得到(1S,2S)-N-{N-[2-(4-methylcyclohexa-1,4-dienyl)ethyl]-N-methylsulfamoyl}-1,2-diphenylethylenediamine
  参考文献：
  名称：

  Asymmetric Transfer Hydrogenation of 1-Naphthyl Ketones by an ansa-Ru(II) Complex of a DPEN-SO₂N(Me)-(CH₂)₂(η⁶-p-Tol) Combined Ligand

  摘要：

  The first second-generation designer Ru(II) catalyst 1b featuring an enantiopure N,C-(N-ethylene-N-methyl-sulfamoyI)-tethered (DPEN-k(2)N,N)/n(6)toluene hybrid ligand Is introduced. Using an SIC 1000 in HCO2H Et3N 5:2 transfer hydrogenation medium, secondary 1-naphthyl alcohols are obtained in up to >99.9% ee under mild conditions. Mechanistic factors are discussed.

  DOI：

  10.1021/ol400393j
• 作为产物：
  描述：

  1-{N-[2-(4-methylcyclohexa-1,4-dienyl)ethyl]-N-methylsulfamoyl}-2-methylimidazole 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 反应 3.17h， 生成 1-{N-[2-(4-methylcyclohexa-1,4-dienyl)ethyl]-N-methylsulfamoyl}-2,3-dimethylimidazolium triflate
  参考文献：
  名称：

  Asymmetric Transfer Hydrogenation of 1-Naphthyl Ketones by an ansa-Ru(II) Complex of a DPEN-SO₂N(Me)-(CH₂)₂(η⁶-p-Tol) Combined Ligand

  摘要：

  The first second-generation designer Ru(II) catalyst 1b featuring an enantiopure N,C-(N-ethylene-N-methyl-sulfamoyI)-tethered (DPEN-k(2)N,N)/n(6)toluene hybrid ligand Is introduced. Using an SIC 1000 in HCO2H Et3N 5:2 transfer hydrogenation medium, secondary 1-naphthyl alcohols are obtained in up to >99.9% ee under mild conditions. Mechanistic factors are discussed.

  DOI：

  10.1021/ol400393j