3-bromo-2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinine | 917897-35-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 3-bromo-2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinine
• 英文别名: 3-Bromo-2,6-dichloro-4-phenyl-2H-1,2lambda~5~-benzoxaphosphinin-2-one；3-bromo-2,6-dichloro-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
• CAS: 917897-35-9
• 化学式: C₁₄H₈BrCl₂O₂P
• 分子量: 390.0
• InChiKey: RGVZDMDFDHRMFH-UHFFFAOYSA-N

物化性质

• 沸点：
  457.1±55.0 °C(Predicted)
• 密度：
  1.73±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinine 、 叔丁胺 以 苯 为溶剂， 反应 6.0h， 以93%的产率得到3-bromo-2-tert-butylamino-6-chloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinine
  参考文献：
  名称：

  Bromination of benzo[e]-1,2-oxaphosphorinine derivatives

  摘要：

  Using NMR spectroscopy, we found that the reactions of 6-chloro-2-hydroxy-2-oxo-4-phenyl- and 2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinines with molecular bromine result in 3-bromo-6-chloro-2-hydroxy-2-oxo-4-phenyl- and 3-bromo2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinines in high yields.

  DOI：

  10.1070/mc2006v016n02abeh002220
• 作为产物：
  描述：

  2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinine 在 溴 作用下， 以 氯仿 为溶剂， 反应 4.0h， 以95%的产率得到3-bromo-2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinine
  参考文献：
  名称：

  Bromination of benzo[e]-1,2-oxaphosphorinine derivatives

  摘要：

  Using NMR spectroscopy, we found that the reactions of 6-chloro-2-hydroxy-2-oxo-4-phenyl- and 2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinines with molecular bromine result in 3-bromo-6-chloro-2-hydroxy-2-oxo-4-phenyl- and 3-bromo2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinines in high yields.

  DOI：

  10.1070/mc2006v016n02abeh002220

文献信息

• Synthesis and Chemical Properties of Benzo[<i>e</i>]-1,2-Oxaphosphorinine Derivatives—Analogues of Coumarins
  作者：E. N. Varaksina、D. A. Tatarinov、K. Yu. Cherkin、A. V. Nemtarev、V. F. Mironov、A. I. Konovalov

  DOI：10.1080/10426500701764957

  日期：2008.1.14

  The 4-aryl(alkyl)benzo[e]-1,2-oxaphosphorine derivatives (phosphacoumarins) were obtained by the reaction of 2,2,2-trihalogenobenzo[d]-1,3,2-dioxaphospholes with terminal acetylenes. The reactions of phosphacoumarins with halogens and Grignard reagents were investigated.
• Bromination of benzo[e]-1,2-oxaphosphorinine derivatives
  作者：Elena N. Varaksina、Sergey A. Mezentsev、Vladimir F. Mironov、Alexander I. Konovalov

  DOI：10.1070/mc2006v016n02abeh002220

  日期：2006.1

  Using NMR spectroscopy, we found that the reactions of 6-chloro-2-hydroxy-2-oxo-4-phenyl- and 2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinines with molecular bromine result in 3-bromo-6-chloro-2-hydroxy-2-oxo-4-phenyl- and 3-bromo2,6-dichloro-2-oxo-4-phenylbenzo[e]-1,2-oxaphosphorinines in high yields.