| 958635-20-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• CAS: 958635-20-6
• 化学式: C₁₄H₁₇NO₄
• 分子量: 263.293
• InChiKey: BHVGJINMAPLNMS-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.81
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  77.84
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 N-(4-溴苯甲酰基)咪唑 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成
  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
• 作为产物：
  描述：

  (+/-)-N-(5',6'-epoxyhexyl)phthalimide 在 (AcO)[1R-(1α,2α,5α)-substituted salen]Co(III) 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 生成 (R)-N-(5',6'-epoxyhexyl)phthalimide 、 (S)-N-(5',6'-epoxyhexyl)phthalimide 、 、 2-[(5R)-5,6-dihydroxyhexyl]isoindole-1,3-dione
  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