7-ethoxy-carbonylmethoxyflavanone | 2430-55-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 7-ethoxy-carbonylmethoxyflavanone
• 英文别名: (4-oxo-2-phenyl-chroman-7-yloxy)-acetic acid ethyl ester；(4-Oxo-2-phenyl-chroman-7-yloxy)-essigsaeure-aethylester；Ethyl 2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetate；ethyl 2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetate
• CAS: 2430-55-9
• 化学式: C₁₉H₁₈O₅
• 分子量: 326.349
• InChiKey: YTRQAZQGVDREBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-ethoxy-carbonylmethoxyflavanone 在 N-溴代丁二酰亚胺(NBS) 、 乙醇 、 氯仿 、 硫酸 、 过氧化苯甲酰 作用下， 生成 乙酯黄酮
  参考文献：
  名称：

  Da Re; Colleoni, Annali di Chimica, 1959, vol. 49, p. 1632,1636

  摘要：

  DOI：
• 作为产物：
  描述：

  溴乙酸乙酯 、 7-羟基黄烷酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 8.0h， 以76.9%的产率得到7-ethoxy-carbonylmethoxyflavanone
  参考文献：
  名称：

  7-Hydroxyflavanone (I) and 7-Ethoxycarbonylmethoxyflavanone (II)

  摘要：

  The gamma-pyrone rings in both of the title molecules, 2,3-dihydro-7-hydroxy-2-phenyl-4H- 1-benzopyran-4-one, C15H12O3, (I), and ethyl (2,3-dihydro-2-phenyl-4-oxo-4H-1-benzopyran-7-yl)oxyacetate, C19H18O5, (II), adopt a C(2)-sofa conformation. In (I), the phenyl ring is twisted 103.0 (1)degrees from the plane of the fused rings and the hydroxy group at C(7) forms an intermolecular hydrogen bond to O(4) of the adjacent molecule. In (II), the phenyl ring is twisted 121.5 (2)degrees from the plane of the fused rings and the acetyl group is oriented slightly out of the plane of the benzene ring.

  DOI：

  10.1107/s0108270195002940

文献信息

• 7-Hydroxyflavanone (I) and 7-Ethoxycarbonylmethoxyflavanone (II)
  作者：E. Kendi、S. Özbey、R. Ertan、H. K. Fun、B. C. Yip

  DOI：10.1107/s0108270195002940

  日期：1995.9.15

  The gamma-pyrone rings in both of the title molecules, 2,3-dihydro-7-hydroxy-2-phenyl-4H- 1-benzopyran-4-one, C15H12O3, (I), and ethyl (2,3-dihydro-2-phenyl-4-oxo-4H-1-benzopyran-7-yl)oxyacetate, C19H18O5, (II), adopt a C(2)-sofa conformation. In (I), the phenyl ring is twisted 103.0 (1)degrees from the plane of the fused rings and the hydroxy group at C(7) forms an intermolecular hydrogen bond to O(4) of the adjacent molecule. In (II), the phenyl ring is twisted 121.5 (2)degrees from the plane of the fused rings and the acetyl group is oriented slightly out of the plane of the benzene ring.
• Da Re; Colleoni, Annali di Chimica, 1959, vol. 49, p. 1632,1636
  作者：Da Re、Colleoni

  DOI：——

  日期：——