2,6-dioxo-bicyclo[3.3.1]nonane-1,3,5,7-tetracarboxylic acid-3,7-dimethyl ester | 201992-27-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,6-dioxo-bicyclo[3.3.1]nonane-1,3,5,7-tetracarboxylic acid-3,7-dimethyl ester
• 英文别名: 2,6-Dioxo-bicyclo[3.3.1]nonan-1,3,5,7-tetracarbonsaeure-3,7-dimethylester；3,7-Bis(methoxycarbonyl)-2,6-dioxobicyclo[3.3.1]nonane-1,5-dicarboxylic acid
• CAS: 201992-27-0
• 化学式: C₁₅H₁₆O₁₀
• 分子量: 356.286
• InChiKey: DKSRMIFOBMGLIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  557.4±50.0 °C(Predicted)
• 密度：
  1.598±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,6-dioxo-bicyclo[3.3.1]nonane-1,3,5,7-tetracarboxylic acid-3,7-dimethyl ester 以1.56 g的产率得到2,6-dioxo-bicyclo[3.3.1]nonane-3,7-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Synthesis of 3-Methyl-2,6-dimethylbicyclo[3.3.1]nonane-exo-2,exo-6-diol

  摘要：

  In this article, a new 2,6-dimethylbicyclo[3.3.1]nonane-exo-2, exo-6-diol derivative was designed and synthesized. First, the precursor compound (8) was prepared. Key intermediate dione compounds were obtained by reaction with iodomethane followed by hydrolysis and decarboxylation. Finally, methylation of the mixture of compounds 10a and 10b resulted in the formation of the title compound (5).

  DOI：

  10.1080/00397910902883561
• 作为产物：
  描述：

  1,3,5,7-tetracarbomethoxybicyclo<3.3.1>nonane-2,6-dione 在 barium dihydroxide 、 水 作用下， 生成 2,6-dioxo-bicyclo[3.3.1]nonane-1,3,5,7-tetracarboxylic acid-3,7-dimethyl ester
  参考文献：
  名称：

  Meerwein; Schuermann, Justus Liebigs Annalen der Chemie, 1913, vol. 398, p. 214

  摘要：

  DOI：

文献信息

• Synthesis of 3-Methyl-2,6-dimethylbicyclo[3.3.1]nonane-exo-2,exo-6-diol
  作者：Na Yang、Fei Wu、Jiabin Gao、Xiaoyan Luo、Weimin Yue

  DOI：10.1080/00397910902883561

  日期：2009.10.12

  In this article, a new 2,6-dimethylbicyclo[3.3.1]nonane-exo-2, exo-6-diol derivative was designed and synthesized. First, the precursor compound (8) was prepared. Key intermediate dione compounds were obtained by reaction with iodomethane followed by hydrolysis and decarboxylation. Finally, methylation of the mixture of compounds 10a and 10b resulted in the formation of the title compound (5).
• Meerwein; Schuermann, Justus Liebigs Annalen der Chemie, 1913, vol. 398, p. 214
  作者：Meerwein、Schuermann

  DOI：——

  日期：——