3-(4-butoxycarbonylphenyloxycarbonyl)xanthen-9-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-(4-butoxycarbonylphenyloxycarbonyl)xanthen-9-one
• 英文别名: 3-(4-butoxycarbonyl-phenyloxycarbonyl)-Xanthen-9-one；(4-butoxycarbonylphenyl) 9-oxoxanthene-3-carboxylate
• 化学式: C₂₅H₂₀O₆
• 分子量: 416.43
• InChiKey: IADIKQOBPHCWTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  尼泊金丁酯 、 2-phenoxy-terephthaloyl dichloride 以 吡啶 为溶剂， 以60%的产率得到3-(4-butoxycarbonylphenyloxycarbonyl)xanthen-9-one
  参考文献：
  名称：

  3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one

  摘要：

  The title compound, butyl 4-[(9-oxoxanthen-3-yl)carbonyloxy]benzoate, C25H20O6, has been obtained as a product of the intramolecular cyclization of 2-phenoxyterephthaloyl dichloride in the presence of butyl 4-hydroxybenzoate. The crystal and molecular structures are reported, The xanthone group is planar to within 0.084 (1) Angstrom. Molecules in the crystal are packed with planes of xanthone groups parallel to one another.

  DOI：

  10.1107/s0108270194012710

文献信息

• 3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one
  作者：R. Centore、M. R. Ciajolo、A. Tuzi、H. R. Kricheldorf

  DOI：10.1107/s0108270194012710

  日期：1995.6.15

  The title compound, butyl 4-[(9-oxoxanthen-3-yl)carbonyloxy]benzoate, C25H20O6, has been obtained as a product of the intramolecular cyclization of 2-phenoxyterephthaloyl dichloride in the presence of butyl 4-hydroxybenzoate. The crystal and molecular structures are reported, The xanthone group is planar to within 0.084 (1) Angstrom. Molecules in the crystal are packed with planes of xanthone groups parallel to one another.