6-bromo-2-oxo-2H-chromene-3-carboxamide | 38472-56-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 6-bromo-2-oxo-2H-chromene-3-carboxamide
• 英文别名: 6-bromo-3-coumarincarboxamide；6-bromo-2-oxo-2H-chromene-3-carboxylic acid amide；6-Brom-2-oxo-2H-chromen-3-carbonsaeure-amid；6-Bromcumarin-3-carbonsaeureamid；6-bromo-2-oxochromene-3-carboxamide
• CAS: 38472-56-9
• 化学式: C₁₀H₆BrNO₃
• mdl: MFCD00488494
• 分子量: 268.067
• InChiKey: GTMVXKDEZKIAIS-UHFFFAOYSA-N

物化性质

• 沸点：
  535.2±50.0 °C(Predicted)
• 密度：
  1.790±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-bromo-2-oxo-2H-chromene-3-carboxamide 在 溶剂黄146 作用下， 以 乙腈 为溶剂， 生成 C₂₀H₁₄BrN₃O₄
  参考文献：
  名称：

  Synthesis and reactivity of 4-hydroxy-5-methyl-2-(2-oxo-2H-chromen-3-yl)-6H-1,3-oxazin-6-ones

  摘要：

  4-Hydroxy-6H-1,3-oxazin-6-ones with a coumarin fragment in position 2 of the oxazine ring were synthesized. Their hydrolysis, alcoholysis, and hydrazinolysis afforded a number of new coumarin derivatives containing malonamic acid and 1,2,4-triazole residues. The low stability of the title compounds toward oxygencentered nucleophiles was interpreted by quantum chemical calculations.

  DOI：

  10.1134/s1070363216060128
• 作为产物：
  描述：

  6-溴-2-氧代-2H-1-苯并吡喃-3-羧酸氯 在 ammonium hydroxide 作用下， 生成 6-bromo-2-oxo-2H-chromene-3-carboxamide
  参考文献：
  名称：

  Buu-Hoi et al., Bulletin de la Societe Chimique de France, 1957, p. 561

  摘要：

  DOI：

文献信息

• Moskvin; Reznikova; Ivin, Russian Journal of General Chemistry, 1999, vol. 69, # 4, p. 620 - 628
  作者：Moskvin、Reznikova、Ivin

  DOI：——

  日期：——
• Buu-Hoi et al., Bulletin de la Societe Chimique de France, 1957, p. 561
  作者：Buu-Hoi et al.

  DOI：——

  日期：——
• Synthesis and reactivity of 4-hydroxy-5-methyl-2-(2-oxo-2H-chromen-3-yl)-6H-1,3-oxazin-6-ones
  作者：N. M. Chernov、P. V. Filippova、I. P. Yakovlev、V. E. Zakhs、A. V. Belyakov

  DOI：10.1134/s1070363216060128

  日期：2016.6

  4-Hydroxy-6H-1,3-oxazin-6-ones with a coumarin fragment in position 2 of the oxazine ring were synthesized. Their hydrolysis, alcoholysis, and hydrazinolysis afforded a number of new coumarin derivatives containing malonamic acid and 1,2,4-triazole residues. The low stability of the title compounds toward oxygencentered nucleophiles was interpreted by quantum chemical calculations.