tetrabromocyclopentadienylidene | 39041-61-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: tetrabromocyclopentadienylidene
• CAS: 39041-61-7
• 化学式: C₅Br₄
• 分子量: 379.671
• InChiKey: RFRLPVZHNAIAGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  tetrabromocyclopentadienylidene 在 氧气 作用下， 生成 tetrabromocyclopentadienone O-oxide
  参考文献：
  名称：

  A spectroscopic study of the reaction of the carbene, tetrabromocyclopentadienylidene, with O2 in low temperature matrices

  摘要：

  The photolysis of tetrabromodiazocyclopentadiene (2) in low temperature Ar and N2 matrices generates the carbene, tetrabromocyclopentadienylidene (3). In O2-doped matrices, (3) reacts with oxygen yielding first tetrabromocyclopentadienone O-oxide (4), identification of which was aided by experiments with isotopically labelled oxygen, and then tetrabromocyclopentadienone (5) and tetrabromo-alpha-pyrone (6). The matrix uv-visible and infrared absorption spectra of tetrabromocyclopentadienone O-oxide (4) are reported.

  DOI：

  10.1016/0584-8539(94)80123-1
• 作为产物：
  描述：

  tetrabromodiazocyclopentadiene 以 gaseous matrix 为溶剂， 反应 0.33h， 生成 tetrabromocyclopentadienylidene
  参考文献：
  名称：

  Tetrabromocyclopentadienylidene: generation and reaction with CO in low temperature matrices

  摘要：

  The photolysis of tetrabromodiazocyclopentadiene (1) in low temperature argon matrices generates the carbene, tetrabromocyclopentadienylidene (2), for which both ir and uv-visible absorptions have been recorded. In argon matrices doped with carbon monoxide or in pure carbon monoxide matrices, the carbene reacts with CO giving the ketene, tetrabromofulvenone (4). The carbene did not show any tendency to dimerize at temperatures up to the point where matrix boil-off occurred.

  DOI：

  10.1016/0584-8539(93)80077-n