1a,4b,5a,8b-tetrabromo-1,2,3,4,5,6,7,8-octahydronaphthalene

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: 1a,4b,5a,8b-tetrabromo-1,2,3,4,5,6,7,8-octahydronaphthalene
• 英文别名: (1S,4S,5S,8S)-1,4,5,8-tetrabromo-1,2,3,4,5,6,7,8-octahydronaphthalene
• 化学式: C₁₀H₁₂Br₄
• 分子量: 451.821
• InChiKey: ZBVLKLOSIFPVGL-XAMCCFCMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  萘烷 在 溴 作用下， 反应 168.0h， 以3%的产率得到1,4-二溴代萘
  参考文献：
  名称：

  Bromination of Decalin and Its Derivatives. 9. High Temperature Bromination

  摘要：

  Thermal and photobromination of decalin, 1, was studied, trans,cis,trans-2,5,7,9-tetrabromooctalin 2, was obtained as the major product along with smaller amounts of bromonaphthalene derivatives. The structures of the products were determined by H-1- and C-13-NMR data and single X-ray structural analysis. Bromination of the two decalin derivatives 9 and 10 results in the formation of single isomers 11 and 12, respectively. The three tetrabromides 2, 11, and 12 were shown by molecular mechanics calculations to be the most stable stereoisomer in each case. The formation of these tetrabromides under thermodynamic control is postulated.

  DOI：

  10.1021/jo9700843

文献信息

• Bromination of Decalin and Its Derivatives. 9. High Temperature Bromination
  作者：Arif Dastan、M. Nawaz Tahir、Dinçer Ülkü、Philip B. Shevlin、Metin Balci

  DOI：10.1021/jo9700843

  日期：1997.6.13

  Thermal and photobromination of decalin, 1, was studied, trans,cis,trans-2,5,7,9-tetrabromooctalin 2, was obtained as the major product along with smaller amounts of bromonaphthalene derivatives. The structures of the products were determined by H-1- and C-13-NMR data and single X-ray structural analysis. Bromination of the two decalin derivatives 9 and 10 results in the formation of single isomers 11 and 12, respectively. The three tetrabromides 2, 11, and 12 were shown by molecular mechanics calculations to be the most stable stereoisomer in each case. The formation of these tetrabromides under thermodynamic control is postulated.