1,2,7,7a-tetrahydro-1-methyl-2-(methylimino)-4,7a-diphenyl-fluoro[2,3-d][1,3]oxazine-5,6-dione | 211677-58-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,2,7,7a-tetrahydro-1-methyl-2-(methylimino)-4,7a-diphenyl-fluoro[2,3-d][1,3]oxazine-5,6-dione
• 英文别名: 1-methyl-2-methylimino-4,7a-diphenylfuro[2,3-d][1,3]oxazine-5,6-dione
• CAS: 211677-58-6
• 化学式: C₂₀H₁₆N₂O₄
• 分子量: 348.358
• InChiKey: ODUGXJPJFTWPDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  68.2
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1,2,7,7a-tetrahydro-1-methyl-2-(methylimino)-4,7a-diphenyl-fluoro[2,3-d][1,3]oxazine-5,6-dione 以 xylene 为溶剂， 反应 0.03h， 以42%的产率得到4-benzoyl-2,3-dihydro-1-methyl-5-phenylpyrrole-2,3-dione
  参考文献：
  名称：

  17O-labeling studies on the reaction of 4-benzoyl-5-phenylfuran-2,3-dione with carbodiimides

  摘要：

  The reactions of 4-benzoyl-5-phenyl-furan-2,3-dione 1 with isopropyl-phenylcarbodiimide as well as dimethylcarbodiimide are investigated with aid of O-17-labeling experiments. From comparing the distribution of the label within starting materials and products, an unusual furandione rearrangement is disclosed. This rearrangement can be regarded as a peculiar variation of the well known nucleophilic substitution at a vinylic carbon. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00429-3
• 作为产物：
  描述：

  N,N'-dimethylcarbodiimide 、 4-benzoyl-5-phenyl-furan-2,3-dione 以57%的产率得到1,2,7,7a-tetrahydro-1-methyl-2-(methylimino)-4,7a-diphenyl-fluoro[2,3-d][1,3]oxazine-5,6-dione
  参考文献：
  名称：

  17O-labeling studies on the reaction of 4-benzoyl-5-phenylfuran-2,3-dione with carbodiimides

  摘要：

  The reactions of 4-benzoyl-5-phenyl-furan-2,3-dione 1 with isopropyl-phenylcarbodiimide as well as dimethylcarbodiimide are investigated with aid of O-17-labeling experiments. From comparing the distribution of the label within starting materials and products, an unusual furandione rearrangement is disclosed. This rearrangement can be regarded as a peculiar variation of the well known nucleophilic substitution at a vinylic carbon. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00429-3