8-(p-bromobenzoylmethyl)-6-phenylpyrido[3,2-d][1,2]oxazin-5-one | 1417888-65-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 8-(p-bromobenzoylmethyl)-6-phenylpyrido[3,2-d][1,2]oxazin-5-one
• 英文别名: 8-[2-(4-bromophenyl)-2-oxoethyl]-6-phenyl-8H-pyrido[3,2-d]oxazin-5-one
• CAS: 1417888-65-3
• 化学式: C₂₁H₁₅BrN₂O₃
• 分子量: 423.266
• InChiKey: SCMHNHGUWQVUFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  59.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-溴-3-吡啶甲醛 在 正丁基锂 、 对甲苯磺酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 4-甲氧基-3-硝基三氟甲苯 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 、 苯 为溶剂， 反应 9.5h， 生成 8-(p-bromobenzoylmethyl)-6-phenylpyrido[3,2-d][1,2]oxazin-5-one
  参考文献：
  名称：

  A versatile method for the synthesis of heterocyclic ring-fused 1,2-oxazinones from the NHC-catalyzed reactions of 2-aroylvinylarylaldehydes with nitrosoarenes

  摘要：

  The NHC-catalyzed reactions of nitrosoarenes with 4-(2-aroylvinyl)furan-3-carbaldehydes, 4-(2-aroylvinyl) thiophene-3-carbaldehydes or 2-(2-aroylvinyl)nicotinaldehydes were studied, which produced novel furo[3,4-d][1,2]oxazin-4-ones, thieno[3,4-d][1,2]oxazin-4-ones or pyrido[3,2-d][1,2]oxazin-5-ones, respectively. This work developed a versatile method for the construction of different types of heterocyclic ring-fused 1,2-oxazinones that are not easy accessible by other methods. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.089

文献信息

• A versatile method for the synthesis of heterocyclic ring-fused 1,2-oxazinones from the NHC-catalyzed reactions of 2-aroylvinylarylaldehydes with nitrosoarenes
  作者：Jing Qu、Ying Cheng

  DOI：10.1016/j.tet.2012.10.089

  日期：2013.1

  The NHC-catalyzed reactions of nitrosoarenes with 4-(2-aroylvinyl)furan-3-carbaldehydes, 4-(2-aroylvinyl) thiophene-3-carbaldehydes or 2-(2-aroylvinyl)nicotinaldehydes were studied, which produced novel furo[3,4-d][1,2]oxazin-4-ones, thieno[3,4-d][1,2]oxazin-4-ones or pyrido[3,2-d][1,2]oxazin-5-ones, respectively. This work developed a versatile method for the construction of different types of heterocyclic ring-fused 1,2-oxazinones that are not easy accessible by other methods. (c) 2012 Elsevier Ltd. All rights reserved.