3-(4-fluorophenyl)-9-(3-methoxypropyl)-9,10-dihydrochromeno[8,7-e][1,3]oxazin-4(8H)-one | 1010905-73-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(4-fluorophenyl)-9-(3-methoxypropyl)-9,10-dihydrochromeno[8,7-e][1,3]oxazin-4(8H)-one
• 英文别名: 3-(4-fluorophenyl)-9-(3-methoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
• CAS: 1010905-73-3
• 化学式: C₂₁H₂₀FNO₄
• 分子量: 369.393
• InChiKey: SUPOFWCUFPFYCC-UHFFFAOYSA-N

物化性质

• 熔点：
  108-109 °C
• 沸点：
  526.8±50.0 °C(Predicted)
• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(4-fluorophenyl)-9-(3-methoxypropyl)-9,10-dihydrochromeno[8,7-e][1,3]oxazin-4(8H)-one 在 盐酸 、 水 作用下， 以76%的产率得到3-(4-fluorophenyl)-7-hydroxy-8-(((3-methoxypropyl)amino)methyl)-4H-chromen-4-one hydrochloride
  参考文献：
  名称：

  Features of the aminomethylation of 7-hydroxy-4′-fluoroisoflavones with primary amines

  摘要：

  The behavior of 7-hydroxy-4'-fluoroisoflavones under the conditions of the Mannich reaction with primary amines was studied. New 9-alkyl-substituted 3-(4-fluorophenyl)-9,10-dihydro-4H,8H-chromeno-[8,7-e][1,3]oxazin-4-ones were synthesized. A method was developed for the synthesis of 8-amino- methyl derivatives of isoflavones.

  DOI：

  10.1007/s10593-010-0485-2
• 作为产物：
  描述：

  聚合甲醛 、 3-(4-氟苯基)-7-羟基-4H-1-苯并吡喃-4-酮 、 3-甲氧基丙胺 在 4-二甲氨基吡啶 作用下， 以 异丙醇 为溶剂， 以80%的产率得到3-(4-fluorophenyl)-9-(3-methoxypropyl)-9,10-dihydrochromeno[8,7-e][1,3]oxazin-4(8H)-one
  参考文献：
  名称：

  Features of the aminomethylation of 7-hydroxy-4′-fluoroisoflavones with primary amines

  摘要：

  The behavior of 7-hydroxy-4'-fluoroisoflavones under the conditions of the Mannich reaction with primary amines was studied. New 9-alkyl-substituted 3-(4-fluorophenyl)-9,10-dihydro-4H,8H-chromeno-[8,7-e][1,3]oxazin-4-ones were synthesized. A method was developed for the synthesis of 8-amino- methyl derivatives of isoflavones.

  DOI：

  10.1007/s10593-010-0485-2

文献信息

• Features of the aminomethylation of 7-hydroxy-4′-fluoroisoflavones with primary amines
  作者：S. P. Bondarenko、M. S. Frasinyuk、V. P. Khilya

  DOI：10.1007/s10593-010-0485-2

  日期：2010.6

  The behavior of 7-hydroxy-4'-fluoroisoflavones under the conditions of the Mannich reaction with primary amines was studied. New 9-alkyl-substituted 3-(4-fluorophenyl)-9,10-dihydro-4H,8H-chromeno-[8,7-e][1,3]oxazin-4-ones were synthesized. A method was developed for the synthesis of 8-amino- methyl derivatives of isoflavones.