1,4,5,6,7,7-hexabromobicyclo<2.2.1>hept-5-ene-2-carboxylic acid | 14362-06-2

• 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: 1,4,5,6,7,7-hexabromobicyclo<2.2.1>hept-5-ene-2-carboxylic acid
• 英文别名: (1R,2S,4S)-1,4,5,6,7,7-hexabromobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
• CAS: 14362-06-2；102516-23-4
• 化学式: C₈H₄Br₆O₂
• 分子量: 611.543
• InChiKey: CVMNXPGLNRDDTA-CFHWFIACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4,5,6,7,7-hexabromobicyclo<2.2.1>hept-5-ene-2-carboxylic acid 在 吡啶 作用下， 以 苯 为溶剂， 反应 11.0h， 生成 propyl 1,4,5,6,7,7-hexabromobicyclo<2.2.1>hept-5-ene-2-carboxylate
  参考文献：
  名称：

  Mustafaev, A. M.; Alekperov, N. A.; Guseinov, M. M., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 8, p. 1546 - 1552

  摘要：

  DOI：
• 作为产物：
  描述：

  (-)-menthyl 1,2,3,4,7,7-hexabromobicyclo[2.2.1]hept-2-ene-5-carboxylate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 1,4,5,6,7,7-hexabromobicyclo<2.2.1>hept-5-ene-2-carboxylic acid
  参考文献：
  名称：

  摘要：

  Effect of the conditions on the enantiomeric purity, overall yield, and isomeric composition of chiral polybromonorbornene Diels-Alder adducts of polybromocyclopentadienes and (-)-menthyl acrylate was studied. Enantiomerically pure polybromonorbornenecarboxylic acids were obtained by resolution of the corresponding racemates through diastereoisomeric salts with l-ephedrine. The structure of the products was confirmed by the IR and H-1 NMR spectra.

  DOI：

  10.1023/a:1015386221273

文献信息

• Mustafaev, A. M.; Alekperov, N. A.; Guseinov, M. M., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 8, p. 1546 - 1552
  作者：Mustafaev, A. M.、Alekperov, N. A.、Guseinov, M. M.、Imamaliev, A. B.、Mekhtiev, S. I.

  DOI：——

  日期：——
• ——
  作者：E. G. Mamedov

  DOI：10.1023/a:1015386221273

  日期：——

  Effect of the conditions on the enantiomeric purity, overall yield, and isomeric composition of chiral polybromonorbornene Diels-Alder adducts of polybromocyclopentadienes and (-)-menthyl acrylate was studied. Enantiomerically pure polybromonorbornenecarboxylic acids were obtained by resolution of the corresponding racemates through diastereoisomeric salts with l-ephedrine. The structure of the products was confirmed by the IR and H-1 NMR spectra.