Methyl 5-(2-iodo-4,5-dimethoxyphenyl)-2-[5-(2-methylpropyl)-4-phenylimidazol-1-yl]pentanoate | 918892-51-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 5-(2-iodo-4,5-dimethoxyphenyl)-2-[5-(2-methylpropyl)-4-phenylimidazol-1-yl]pentanoate
• CAS: 918892-51-0
• 化学式: C₂₇H₃₃IN₂O₄
• 分子量: 576.475
• InChiKey: RJXQYFSFRREZOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  62.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 5-(2-iodo-4,5-dimethoxyphenyl)-2-[5-(2-methylpropyl)-4-phenylimidazol-1-yl]pentanoate 在 lithium hydroxide 作用下， 以 甲醇 为溶剂， 以70%的产率得到5-(2-Iodo-4,5-dimethoxyphenyl)-2-[5-(2-methylpropyl)-4-phenylimidazol-1-yl]pentanoic acid
  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：

  Methyl 2-amino-5-(2-iodo-4,5-dimethoxyphenyl)pentanoate 、 phenyl tosylmethylisocyanide 、 异戊醛 在 4 A molecular sieve 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以62%的产率得到Methyl 5-(2-iodo-4,5-dimethoxyphenyl)-2-[5-(2-methylpropyl)-4-phenylimidazol-1-yl]pentanoate
  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