5-(2,4-dichlorophenyl)-4-(4-chlorophenyl)-1,3-oxazole-2-carboxylic acid ethyl ester | 849722-53-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(2,4-dichlorophenyl)-4-(4-chlorophenyl)-1,3-oxazole-2-carboxylic acid ethyl ester
• 英文别名: Ethyl 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)oxazole-2-carboxylate；ethyl 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-oxazole-2-carboxylate
• CAS: 849722-53-8
• 化学式: C₁₈H₁₂Cl₃NO₃
• 分子量: 396.657
• InChiKey: UYXWXFRURXPVJS-UHFFFAOYSA-N

物化性质

• 沸点：
  469.7±55.0 °C(Predicted)
• 密度：
  1.385±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  环己胺 、 5-(2,4-dichlorophenyl)-4-(4-chlorophenyl)-1,3-oxazole-2-carboxylic acid ethyl ester 以 1,4-二氧六环 为溶剂， 生成 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1,3-oxazole-2-carboxamide
  参考文献：
  名称：

  Synthesis and activity of 4,5-diarylimidazoles as human CB1 receptor inverse agonists

  摘要：

  Structure-activity relationship studies directed toward the optimization of 4,5-diarylimidazole-2-carboxamide analogs as human CBI receptor inverse agonists resulted in the discovery of the two amide derivatives 24a and b (hCB1 IC50 = 6.1 and 4.0 nM) which also demonstrated efficacy in overnight feeding studies in the rat for reduction in both food intake and overall body weight. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.078
• 作为产物：
  描述：

  氯甲酸乙酯 、 4-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-oxazole 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 5-(2,4-dichlorophenyl)-4-(4-chlorophenyl)-1,3-oxazole-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and activity of 4,5-diarylimidazoles as human CB1 receptor inverse agonists

  摘要：

  Structure-activity relationship studies directed toward the optimization of 4,5-diarylimidazole-2-carboxamide analogs as human CBI receptor inverse agonists resulted in the discovery of the two amide derivatives 24a and b (hCB1 IC50 = 6.1 and 4.0 nM) which also demonstrated efficacy in overnight feeding studies in the rat for reduction in both food intake and overall body weight. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.078