1-isopropyl-3-(1H-pyrazol-1-yl)indolin-2-one | 1360058-23-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-isopropyl-3-(1H-pyrazol-1-yl)indolin-2-one
• CAS: 1360058-23-6
• 化学式: C₁₄H₁₅N₃O
• 分子量: 241.293
• InChiKey: PRWJHBXMOAJVJJ-UHFFFAOYSA-N

物化性质

• 沸点：
  448.9±45.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  38.13
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1-异丙基-1H-吲哚-2,3-二酮 、 6-(4-甲氧基苯基)-1,5-二氮杂双环[3.1.0]己烷 在 三氟化硼乙醚 、 1-butyl-3-methylimidazolium Tetrafluoroborate 作用下， 反应 168.0h， 以49%的产率得到3-(4,5-dihydro-1H-pyrazol-1-yl)-1-isopropylindolin-2-one
  参考文献：
  名称：

  Metathesis of azomethine imines in the reaction of 6-aryl-1,5-diazabicyclo[3.1.0]hexanes with carbonyl compounds

  摘要：

  An interaction of carbonyl compounds (isatins, 4-nitrobenzaldehyde) with azomethine imines generated by the diaziridine ring opening in 6-aryl-1,5-diazabicyclo[3.1.0]hexanes in the presence of BF3 center dot Et2O as a catalyst induced the metathesis to other azomethine imines with the elimination of aldehydes ArCHO. New azomethine imines were trapped with diethyl acetylenedicarboxylate, otherwise they transformed to the corresponding pyrazolines due to a 1,4-H shift.

  DOI：

  10.1016/j.mencom.2012.01.012

文献信息

• Metathesis of azomethine imines in the reaction of 6-aryl-1,5-diazabicyclo[3.1.0]hexanes with carbonyl compounds
  作者：Vera Yu. Petukhova、Mikhail I. Pleshchev、Leonid L. Fershtat、Vladimir V. Kuznetsov、Vadim V. Kachala、Nina N. Makhova

  DOI：10.1016/j.mencom.2012.01.012

  日期：2012.1

  An interaction of carbonyl compounds (isatins, 4-nitrobenzaldehyde) with azomethine imines generated by the diaziridine ring opening in 6-aryl-1,5-diazabicyclo[3.1.0]hexanes in the presence of BF3 center dot Et2O as a catalyst induced the metathesis to other azomethine imines with the elimination of aldehydes ArCHO. New azomethine imines were trapped with diethyl acetylenedicarboxylate, otherwise they transformed to the corresponding pyrazolines due to a 1,4-H shift.