(1S)-o-chlorophenyl-1,2-ethylenediamine | 958876-86-3

• 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: (1S)-o-chlorophenyl-1,2-ethylenediamine
• 英文别名: (1S)-1-(2-Chlorophenyl)ethane-1,2-diamine
• CAS: 958876-86-3
• 化学式: C₈H₁₁ClN₂
• 分子量: 170.642
• InChiKey: BRKMFMWSBIXVBA-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-羟基-2-奈甲醛 、 (1S)-o-chlorophenyl-1,2-ethylenediamine 以 乙醇 为溶剂， 反应 14.0h， 以71%的产率得到N,N'-bis(1'-hydroxy-2'-naphthylidene)-(1S)-ortho-chlorophenyl-1,2-ethylenediamine
  参考文献：
  名称：

  “盒式”原位酶筛选可识别互补的手性支架，用于一系列环氧化物的水解动力学拆分。

  摘要：

  ‘Cassette’-ISES (In Situ Enzymatic Screening) Identifies Complementary Chiral Scaffolds for Hydrolytic Kinetic Resolution Across a Range of Epoxides A new ‘Cassette’-In Situ Enzymatic Screen (ISES) for combinatorial catalysis is introduced. This allows the experimentalist to obtain an information-rich readout, in real time, providing an estimate of the sense and magnitude of enantioselectivity across more than one substrate. In its first iteration, the screen identified CoIII-salen catalysts with β-pinene- and α-naphthylalanine-derived chiral scaffolds with broad, yet complementary, substrate specificities.

  DOI：

  10.1002/anie.200701280

文献信息

• “Cassette” In Situ Enzymatic Screening Identifies Complementary Chiral Scaffolds for Hydrolytic Kinetic Resolution Across a Range of Epoxides
  作者：Sangeeta Dey、Douglas R. Powell、Chunhua Hu、David B. Berkowitz

  DOI：10.1002/anie.200701280

  日期：2007.9.17

  ‘Cassette’-ISES (In Situ Enzymatic Screening) Identifies Complementary Chiral Scaffolds for Hydrolytic Kinetic Resolution Across a Range of Epoxides A new ‘Cassette’-In Situ Enzymatic Screen (ISES) for combinatorial catalysis is introduced. This allows the experimentalist to obtain an information-rich readout, in real time, providing an estimate of the sense and magnitude of enantioselectivity across more than one substrate. In its first iteration, the screen identified CoIII-salen catalysts with β-pinene- and α-naphthylalanine-derived chiral scaffolds with broad, yet complementary, substrate specificities.