3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl chloride | 936739-52-5

• 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: 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl chloride
• CAS: 936739-52-5
• 化学式: C₁₃H₁₁ClO₄
• 分子量: 266.681
• InChiKey: KAFGKZYCMVKCND-UHFFFAOYSA-N

物化性质

• 熔点：
  102 °C
• 沸点：
  463.0±45.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  67.51
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl chloride 在 吡啶 作用下， 反应 2.0h， 生成 2-[3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]hydrazine-1-carbothioamide
  参考文献：
  名称：

  Syntheses on the basis of 2H-chromen-2-one and 2H-chromene-2-thione

  摘要：

  4-Hydroxy-2H-chromen-2-one and 4-hydroxy-2H-chromene-2-thione reacted with allyl bromide, 1,1,3-trichloroprop-l-ene, and 1,3-dichlorobut-2-ene to give the corresponding ethers, which were oxidized to (2-oxo-2H-chromen-4-yloxy)acetic acid with potassium permanganate, and various derivatives of that acid were obtained. 3-(3,3-Dichloroprop-2-enyl)-7-hydroxy-4-methyl-2H-chromen-2-one and 3-(3,3-dichloroprop2-enyl)-7-hydroxy-4-methyl-2H-chromene-2-thione were synthesized, and some their transformations were studied.

  DOI：

  10.1134/s1070428006070244
• 作为产物：
  描述：

  3-(7-羟基-4-甲基-2-氧代-2-苯并吡喃)丙酸 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 苯 为溶剂， 反应 1.0h， 以97%的产率得到3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl chloride
  参考文献：
  名称：

  Syntheses on the basis of 2H-chromen-2-one and 2H-chromene-2-thione

  摘要：

  4-Hydroxy-2H-chromen-2-one and 4-hydroxy-2H-chromene-2-thione reacted with allyl bromide, 1,1,3-trichloroprop-l-ene, and 1,3-dichlorobut-2-ene to give the corresponding ethers, which were oxidized to (2-oxo-2H-chromen-4-yloxy)acetic acid with potassium permanganate, and various derivatives of that acid were obtained. 3-(3,3-Dichloroprop-2-enyl)-7-hydroxy-4-methyl-2H-chromen-2-one and 3-(3,3-dichloroprop2-enyl)-7-hydroxy-4-methyl-2H-chromene-2-thione were synthesized, and some their transformations were studied.

  DOI：

  10.1134/s1070428006070244