1-[3-(2-碘苯基)丙基]-5-(2-甲基丙基)-4-苯基咪唑 | 918892-38-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-[3-(2-碘苯基)丙基]-5-(2-甲基丙基)-4-苯基咪唑
• 英文名称: 1-[3-(2-Iodophenyl)propyl]-5-(2-methylpropyl)-4-phenyl-1H-imidazole
• 英文别名: 1-[3-(2-iodophenyl)propyl]-5-(2-methylpropyl)-4-phenylimidazole
• CAS: 918892-38-3
• 化学式: C₂₂H₂₅IN₂
• 分子量: 444.358
• InChiKey: ICRUFXPWGRWAEW-UHFFFAOYSA-N

物化性质

• 沸点：
  571.3±50.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-[3-(2-碘苯基)丙基]-5-(2-甲基丙基)-4-苯基咪唑 在 palladium diacetate copper(l) iodide 、 caesium carbonate 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到3-(2-methylpropyl)-2-phenyl-6,7-dihydro-5H-imidazo[2,1-a][2]benzazepine
  参考文献：
  名称：

  Synthesis of fused imidazole rings by sequential van Leusen/C–H bond activation

  摘要：

  A concise route to access fused imidazole rings employing the van Leusen three-component reaction followed by a Pd/Cu catalyzed intramolecular Garylation is reported. The reaction was found to be general and the products were formed in moderate to excellent yields using the two-step reaction sequence. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.051
• 作为产物：
  描述：

  phenyl tosylmethylisocyanide 、 异戊醛 、 3-(2-iodophenyl)propylamine 在 4 A molecular sieve 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以92%的产率得到1-[3-(2-碘苯基)丙基]-5-(2-甲基丙基)-4-苯基咪唑
  参考文献：
  名称：

  Synthesis of fused imidazole rings by sequential van Leusen/C–H bond activation

  摘要：

  A concise route to access fused imidazole rings employing the van Leusen three-component reaction followed by a Pd/Cu catalyzed intramolecular Garylation is reported. The reaction was found to be general and the products were formed in moderate to excellent yields using the two-step reaction sequence. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.051

文献信息

• Synthesis of fused imidazole rings by sequential van Leusen/C–H bond activation
  作者：Vijaya Gracias、Alan F. Gasiecki、Thomas G. Pagano、Stevan W. Djuric

  DOI：10.1016/j.tetlet.2006.10.051

  日期：2006.12

  A concise route to access fused imidazole rings employing the van Leusen three-component reaction followed by a Pd/Cu catalyzed intramolecular Garylation is reported. The reaction was found to be general and the products were formed in moderate to excellent yields using the two-step reaction sequence. (c) 2006 Elsevier Ltd. All rights reserved.