6-chloro-2-imino-2H-chromene-3-carboxylic acid ethyl ester | 14451-77-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-chloro-2-imino-2H-chromene-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 6-chloro-2-iminochromene-3-carboxylate
• CAS: 14451-77-5
• 化学式: C₁₂H₁₀ClNO₃
• 分子量: 251.669
• InChiKey: HHEYDMVSVPTQBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-二甲基-4-硝基异噁唑 、 6-chloro-2-imino-2H-chromene-3-carboxylic acid ethyl ester 以 水 为溶剂， 反应 2.0h， 生成 ethyl 2-amino-6-chloro-4-((3-methyl-4-nitroisoxazol-5-yl)methyl)-4H-chromene-3-carboxylate
  参考文献：
  名称：

  Synthesis of 4 H ‐chromene‐isoxazole hybrids via ortho ‐hydroxy directing cyclization of isoxazole‐styrenes and Michael addition of imino‐chromenes in aqueous medium

  摘要：

  AbstractA green, efficient, and one‐pot method synthesis of functionalized 4H‐chromene‐isoxazole hybrids is reported via o‐hydroxy group directing cyclization of isoxazole‐styrenes and Michael addition of 3,5‐dimethyl‐4‐nitroisoxazole on 2‐imino‐2H‐chromene‐3‐carbonitrile (independent methods). The developed methodology was further extended for nitromethane, malononitrile, and alkylcyanoacetates as Michael donors.

  DOI：

  10.1002/jhet.4251
• 作为产物：
  描述：

  氰乙酸乙酯 、 5-氯代水杨醛 以 水 为溶剂， 反应 0.5h， 生成 6-chloro-2-imino-2H-chromene-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of 4 H ‐chromene‐isoxazole hybrids via ortho ‐hydroxy directing cyclization of isoxazole‐styrenes and Michael addition of imino‐chromenes in aqueous medium

  摘要：

  AbstractA green, efficient, and one‐pot method synthesis of functionalized 4H‐chromene‐isoxazole hybrids is reported via o‐hydroxy group directing cyclization of isoxazole‐styrenes and Michael addition of 3,5‐dimethyl‐4‐nitroisoxazole on 2‐imino‐2H‐chromene‐3‐carbonitrile (independent methods). The developed methodology was further extended for nitromethane, malononitrile, and alkylcyanoacetates as Michael donors.

  DOI：

  10.1002/jhet.4251