1,4,7,10,13-Pentaoxacycloheptadecan-14,17-dion | 62786-66-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 1,4,7,10,13-Pentaoxacycloheptadecan-14,17-dion
• 英文别名: 1,4,7,10,13-Pentaoxacycloheptadecane-14,17-dione
• CAS: 62786-66-7
• 化学式: C₁₂H₂₀O₇
• 分子量: 276.287
• InChiKey: MCNFMIXLPJCWAX-UHFFFAOYSA-N

物化性质

• 沸点：
  529.9±50.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  三缩四乙二醇 、 丁二酸二甲酯 在 titanium(IV) isopropylate 、 dibutyltin bis(2-ethylhexanoate) 作用下， 生成 1,4,7,10,13-Pentaoxacycloheptadecan-14,17-dion
  参考文献：
  名称：

  A Cyclic Monomer of Tetraethyleneglycol Succinate

  摘要：

  The title compound, 1,4,7,10,13-pentaoxacycloheptadecane-14,17-dione, C12H20O7, was prepared in a mixture of large ether-ester rings and isolated by preparative gel-permeation chromatography. The maximum internal diameter of its cavity was found to be 7.5 Angstrom.

  DOI：

  10.1107/s0108270197002928

文献信息

• Tris(2-methoxyphenyl)bismuthane as a dehydrating agent with high template ability: an efficient single-step synthesis of macrocyclic diesters from diacid anhydrides and glycols
  作者：Takuji Ogawa、Akemi Yoshikawa、Hidemi Wada、Chie Ogawa、Noboru Ono、Hitomi Suzuki

  DOI：10.1039/c39950001407

  日期：——

  Tris(2-methoxyphenyl)bismuthane works as both a mild dehydrating agent and a good template for macrocyclic ester synthesis; prolonged heating of the bismuthane with a dicarboxylic acid anhydride and a glycol in toluene under reflux afforded the corresponding macrocyclic 1:1 diester in moderate to good yields, together with a small amount of a macrocyclic 2:2 tetraester.

  三(2-甲氧基苯基)铋既是温和的脱水剂，又是大环酯合成的良好模板；将铋烷与二羧酸酐和二醇在甲苯中在回流下长时间加热，以中等至良好的收率得到相应的大环1:1二酯，以及少量的大环2:2四酯。
• Singh, Paramjit; Kumar, Manoj; Singh, Harjit, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, p. 64 - 65
  作者：Singh, Paramjit、Kumar, Manoj、Singh, Harjit

  DOI：——

  日期：——
• Singh, Harjit; Kumar, Manoj; Singh, Paramjit, Journal of Chemical Research, Miniprint, 1989, # 4, p. 675 - 688
  作者：Singh, Harjit、Kumar, Manoj、Singh, Paramjit

  DOI：——

  日期：——
• A Cyclic Monomer of Tetraethyleneglycol Succinate
  作者：L. Cronin、M. H. Moore、J. A. Semlyen、B. R. Wood

  DOI：10.1107/s0108270197002928

  日期：1997.7.15

  The title compound, 1,4,7,10,13-pentaoxacycloheptadecane-14,17-dione, C12H20O7, was prepared in a mixture of large ether-ester rings and isolated by preparative gel-permeation chromatography. The maximum internal diameter of its cavity was found to be 7.5 Angstrom.