(1S,2S)-N-{N-[2-(4-methylcyclohexa-1,4-dienyl)ethyl]-N-methylsulfamoyl}-1,2-diphenylethylenediamine | 1427565-81-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (1S,2S)-N-{N-[2-(4-methylcyclohexa-1,4-dienyl)ethyl]-N-methylsulfamoyl}-1,2-diphenylethylenediamine
• CAS: 1427565-81-8
• 化学式: C₂₄H₃₁N₃O₂S
• 分子量: 425.595
• InChiKey: RUBCLHSVPPEOCL-ZEQRLZLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  75.43
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ruthenium(III) chloride trihydrate 、 (1S,2S)-N-{N-[2-(4-methylcyclohexa-1,4-dienyl)ethyl]-N-methylsulfamoyl}-1,2-diphenylethylenediamine 在 盐酸 作用下， 以 乙醚 、 二氯甲烷 、 乙醇 为溶剂， 反应 0.33h， 以59%的产率得到(1S,2S)-N-{N-methyl-N-[2-(η⁶-p-tolyl)ethyl]sulfamoyl}-1,2-diphenylethylenediamine hydrochloride ruthenium(II) dichloride dimer
  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 以 二氯甲烷 、 乙腈 为溶剂， 反应 3.17h， 生成 (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