2,9-Bis(trifluoromethyl)-7-p-tolyl-4-oxo-4H-pyrido<3',2':4,5>furo<3,2-d>-1,3-oxazine | 171515-18-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,9-Bis(trifluoromethyl)-7-p-tolyl-4-oxo-4H-pyrido<3',2':4,5>furo<3,2-d>-1,3-oxazine
• 英文别名: 11-(4-Methylphenyl)-4,13-bis(trifluoromethyl)-5,8-dioxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one；11-(4-methylphenyl)-4,13-bis(trifluoromethyl)-5,8-dioxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
• CAS: 171515-18-7
• 化学式: C₁₈H₈F₆N₂O₃
• 分子量: 414.264
• InChiKey: CCMVPCGHOZPCDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  哌啶 、 2,9-Bis(trifluoromethyl)-7-p-tolyl-4-oxo-4H-pyrido<3',2':4,5>furo<3,2-d>-1,3-oxazine 以 甲苯 为溶剂， 反应 4.0h， 以73.2%的产率得到2-Carboxy-3-(2-trifluoromethyl piperidinyl methyleneamino)-4-trifluoromethyl-6-p-tolylfuro<2,3-b>pyridine
  参考文献：
  名称：

  Fluoro organics: synthesis of novel fluorinated 4-oxo-4H-pyrido[3′,2′:4,5]furo[3,2-d]-1,3-oxazines and their reactions

  摘要：

  Novel fluorinated 4-oxo-4H-pyrido[3',2':4,5]furo[3,2-d]-1,3-oxazines have been synthesised from 2-carbethoxy-3-amino-4-trifluoromethyl-6-aryl-substituted furo[2,3-b] pyridines via intermediates such as 2-carboxy-3-amino-4-trifluoromethyl-6-aryl-substituedfuro[2,3-b]pyridines. and 2-carboxy-3-trifluoroacetylamino-4-trifluoromethyl-6-aryl-substituted furo [2,3-b]pyridines. The CF3 group induces changes in the reactivity in the molecule and the consequent regioselective attack of nucleophiles on the oxazine ring have been studied and utilized for mechanistic interpretation.

  DOI：

  10.1016/0022-1139(95)03239-a
• 作为产物：
  描述：

  2-Carboxy-3-amino-4-trifluoromethyl-6-p-tolylfuro<2,3-b>pyridine 在 乙酸酐 作用下， 反应 4.0h， 生成 2,9-Bis(trifluoromethyl)-7-p-tolyl-4-oxo-4H-pyrido<3',2':4,5>furo<3,2-d>-1,3-oxazine
  参考文献：
  名称：

  Fluoro organics: synthesis of novel fluorinated 4-oxo-4H-pyrido[3′,2′:4,5]furo[3,2-d]-1,3-oxazines and their reactions

  摘要：

  Novel fluorinated 4-oxo-4H-pyrido[3',2':4,5]furo[3,2-d]-1,3-oxazines have been synthesised from 2-carbethoxy-3-amino-4-trifluoromethyl-6-aryl-substituted furo[2,3-b] pyridines via intermediates such as 2-carboxy-3-amino-4-trifluoromethyl-6-aryl-substituedfuro[2,3-b]pyridines. and 2-carboxy-3-trifluoroacetylamino-4-trifluoromethyl-6-aryl-substituted furo [2,3-b]pyridines. The CF3 group induces changes in the reactivity in the molecule and the consequent regioselective attack of nucleophiles on the oxazine ring have been studied and utilized for mechanistic interpretation.

  DOI：

  10.1016/0022-1139(95)03239-a