6,6'-(2-oxopropane-1,3-diyl)bis(2,2-dimethyl-4H-1,3-dioxin-4-one) | 1306651-83-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6,6'-(2-oxopropane-1,3-diyl)bis(2,2-dimethyl-4H-1,3-dioxin-4-one)
• 英文别名: 6-[3-(2,2-Dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one
• CAS: 1306651-83-1
• 化学式: C₁₅H₁₈O₇
• 分子量: 310.304
• InChiKey: HYCBSHUFWTYKJF-UHFFFAOYSA-N

物化性质

• 沸点：
  489.2±45.0 °C(Predicted)
• 密度：
  1.208±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  甲醇 、 6,6'-(2-oxopropane-1,3-diyl)bis(2,2-dimethyl-4H-1,3-dioxin-4-one) 以 甲苯 为溶剂， 反应 8.0h， 以95%的产率得到dimethyl 3,5-dihydroxyhomophthalate
  参考文献：
  名称：

  Efficient two directional syntheses of a homophthalate ester and novel resorcylate oligomers

  摘要：

  Thermolysis of 6,6'-(2-oxopropane-1,3-diyl)bis(2,2-dimethyl-4H-1,3-dioxin-4-one) in the presence of methanol gave a triketo-ester which subsequently aromatized to provide a synthetically useful homophthalate ester. Enolate C-acylation in the presence of diethylzinc was used to synthesize other double diketo-dioxinones, which on cyclization, aromatization and dioxinone ring opening gave novel double resorcylate derivatives. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.100
• 作为产物：
  描述：

  二(对硝基苯)碳酸酯 、 2,2,6-三甲基-4H-1,3-二英-4-酮 在 lithium hexamethyldisilazane 、 zinc(II) chloride 作用下， 以 四氢呋喃 、 正己烷 、 乙醚 为溶剂， 反应 3.83h， 以54%的产率得到6,6'-(2-oxopropane-1,3-diyl)bis(2,2-dimethyl-4H-1,3-dioxin-4-one)
  参考文献：
  名称：

  Efficient two directional syntheses of a homophthalate ester and novel resorcylate oligomers

  摘要：

  Thermolysis of 6,6'-(2-oxopropane-1,3-diyl)bis(2,2-dimethyl-4H-1,3-dioxin-4-one) in the presence of methanol gave a triketo-ester which subsequently aromatized to provide a synthetically useful homophthalate ester. Enolate C-acylation in the presence of diethylzinc was used to synthesize other double diketo-dioxinones, which on cyclization, aromatization and dioxinone ring opening gave novel double resorcylate derivatives. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.100

文献信息

• Efficient two directional syntheses of a homophthalate ester and novel resorcylate oligomers
  作者：Bhavesh H. Patel、Scott F.A. Heath、Andrew M. Mason、Anthony G.M. Barrett

  DOI：10.1016/j.tetlet.2011.01.100

  日期：2011.4

  Thermolysis of 6,6'-(2-oxopropane-1,3-diyl)bis(2,2-dimethyl-4H-1,3-dioxin-4-one) in the presence of methanol gave a triketo-ester which subsequently aromatized to provide a synthetically useful homophthalate ester. Enolate C-acylation in the presence of diethylzinc was used to synthesize other double diketo-dioxinones, which on cyclization, aromatization and dioxinone ring opening gave novel double resorcylate derivatives. (C) 2011 Elsevier Ltd. All rights reserved.