1,7-Dibromodispiro<2.2.2.2>decane | 172979-55-4

• 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: 1,7-Dibromodispiro<2.2.2.2>decane
• 英文别名: 2,8-Dibromodispiro[2.2.26.23]decane
• CAS: 172979-55-4
• 化学式: C₁₀H₁₄Br₂
• 分子量: 294.029
• InChiKey: YZAJVERBRNKCDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  1,7-Dibromodispiro<2.2.2.2>decane 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 72.0h， 以61%的产率得到Dispiro<2.2.2.2>decane-1,7-diene
  参考文献：
  名称：

  Synthesis and Structural Properties of Two Biscyclopropenes

  摘要：

  The synthesis of two biscyclopropenes, 1 and 2, are described. Both compounds are moderately sensitive to oxygen and Lewis acids. The conformational properties of 1 were examined by dynamic H-1 NMR spectroscopy. The structure of 2 was determined by low-temperature X-ray crystallography. Ab initio calculations successfully reproduce the structure for 2 and the conformational properties of 1.

  DOI：

  10.1021/jo00129a028
• 作为产物：
  描述：

  1,4-环己烷二甲醇 在 氢氧化钾 、 sodium hydroxide 、 苄基三乙基氯化铵 、 三正丁基氢锡 、 三溴化磷 作用下， 以 四氢呋喃 、 乙醇 、 二乙二醇 、 苯 为溶剂， 反应 8.25h， 生成 1,7-Dibromodispiro<2.2.2.2>decane
  参考文献：
  名称：

  Synthesis and Structural Properties of Two Biscyclopropenes

  摘要：

  The synthesis of two biscyclopropenes, 1 and 2, are described. Both compounds are moderately sensitive to oxygen and Lewis acids. The conformational properties of 1 were examined by dynamic H-1 NMR spectroscopy. The structure of 2 was determined by low-temperature X-ray crystallography. Ab initio calculations successfully reproduce the structure for 2 and the conformational properties of 1.

  DOI：

  10.1021/jo00129a028

文献信息

• Synthesis and Structural Properties of Two Biscyclopropenes
  作者：Thomas D. Golobish、William P. Dailey

  DOI：10.1021/jo00129a028

  日期：1995.12

  The synthesis of two biscyclopropenes, 1 and 2, are described. Both compounds are moderately sensitive to oxygen and Lewis acids. The conformational properties of 1 were examined by dynamic H-1 NMR spectroscopy. The structure of 2 was determined by low-temperature X-ray crystallography. Ab initio calculations successfully reproduce the structure for 2 and the conformational properties of 1.