N-((1S,2R)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-1,2-bis(4-chlorophenyl)ethyl)benzamide | 1332292-86-0

• 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: N-((1S,2R)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-1,2-bis(4-chlorophenyl)ethyl)benzamide
• 英文别名: N-[(1S,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-1,2-bis(4-chlorophenyl)ethyl]benzamide
• CAS: 1332292-86-0
• 化学式: C₃₀H₂₁Cl₂F₆N₃OS
• 分子量: 656.479
• InChiKey: FCYNSJNDBQIJCI-IZZNHLLZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  85.2
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (1R,2S)-1,2-bis(4-chlorophenyl)ethane-1,2-diamine 在 4-二甲氨基吡啶 、 N-((1R,2R)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)cyclohexyl)-3,5-bis(trifluoromethyl)benzamide 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 4.0h， 生成 N-((1S,2R)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-1,2-bis(4-chlorophenyl)ethyl)benzamide
  参考文献：
  名称：

  Catalytic Enantioselective Desymmetrization of meso-Diamines: A Dual Small-Molecule Catalysis Approach

  摘要：

  The desymmetrization of meso-diamines was accomplished via enantioselective monobenzoylation facilitated by the cooperative action of two small-molecule catalysts. A chiral acyl-transfer reagent is formed in situ through the interplay of benzoic anhydride, 4-(dimethylamino)pyridine as a nucleophilic catalyst, and a chiral amide-thiourea cocatalyst.

  DOI：

  10.1021/ja2060462

文献信息

• Catalytic Enantioselective Desymmetrization of <i>meso</i>-Diamines: A Dual Small-Molecule Catalysis Approach
  作者：Chandra Kanta De、Daniel Seidel

  DOI：10.1021/ja2060462

  日期：2011.9.21

  The desymmetrization of meso-diamines was accomplished via enantioselective monobenzoylation facilitated by the cooperative action of two small-molecule catalysts. A chiral acyl-transfer reagent is formed in situ through the interplay of benzoic anhydride, 4-(dimethylamino)pyridine as a nucleophilic catalyst, and a chiral amide-thiourea cocatalyst.