1,6-bis(bromomethyl)cyclohepta-1,3,5-triene | 32429-80-4

• 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: 1,6-bis(bromomethyl)cyclohepta-1,3,5-triene
• 英文别名: 1,6-bis(bromomethyl)-1,3,5-cycloheptatriene
• CAS: 32429-80-4
• 化学式: C₉H₁₀Br₂
• 分子量: 277.986
• InChiKey: UAXFZHIOZZZUIY-UHFFFAOYSA-N

物化性质

• 沸点：
  273.6±33.0 °C(Predicted)
• 密度：
  1.649±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,6-bis(bromomethyl)cyclohepta-1,3,5-triene 在 氢氧化钾 、 sodium ethanolate 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis, structure and some reactions of a multi-bridged unsaturated cyclooctadecane derivative formally having two cycloheptatrienes

  摘要：

  Double annulation of 1.6-bis(bromomethyl)-1,3,5-cycloheptatriene with diethyl acetonedicarboxylate under basic conditions provided the title cyclooctadecane derivative having formally two 1,3,5-cycloheptatriene moieties. An NMR study of tile compound suggested that one moiety stays as a cycloheptatriene form and the other as a norcaradiene form. X-ray crystallographic analysis revealed that two methano bridges have syn- and anti-configurations to the central carbonyl bridge and also showed that one of the moieties having the syn-methano bridge stays a CHT form and the other having the anti-methano bridge stays an NCD form. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.096

文献信息

• Mills, Owen S.; Mooney, Nichola J.; Robinson, Peter M., Journal of the Chemical Society. Perkin transactions II, 1995, # 4, p. 697 - 706
  作者：Mills, Owen S.、Mooney, Nichola J.、Robinson, Peter M.、Watt, C. Ian F.、Box, Brian G.

  DOI：——

  日期：——