(dibromomethylene)(2,6-di-t-butylphenyl)phosphine | 740815-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (dibromomethylene)(2,6-di-t-butylphenyl)phosphine
• 英文别名: Dibromomethylidene-(2,6-ditert-butylphenyl)phosphane
• CAS: 740815-87-6
• 化学式: C₁₅H₂₁Br₂P
• 分子量: 392.113
• InChiKey: QDWALGAMWMPQCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  (dibromomethylene)(2,6-di-t-butylphenyl)phosphine 在 dibromobis(triphenylphosphine)nickel(II) 四丁基碘化铵 、 三苯基膦 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以24%的产率得到2-(2,6-di-t-butylphenyl)-1-phosphaethyne
  参考文献：
  名称：

  Preparation and Properties of Phosphaethynes Bearing Bulky Aryl Groups with Electron-Donating Substituents at the Para Position

  摘要：

  Phosphaethynes bearing a 2,6-di-tert-butyl-4-(dimethylamino)phenyl, 2,6-di-tert-butyl-4-methoxyphenyl, or 2,6-di-tert-butylphenyl group were prepared. A P-31 NMR spectroscopic investigation of the chemical shifts indicated that electron-donating groups at the para position cause shifts to a higher field. Bathochromic shifts caused by the electron-donating groups were apparently observed in UV-vis spectra. The structure of 2-[2,6-di-tert-butyl-4-(dimethylamino)phenyl]-1-phosphaethyne was analyzed by X-ray crystallography.

  DOI：

  10.1021/jo049571q
• 作为产物：
  描述：

  2-bromo-1,3-di-tert-butylbenzene 在 正丁基锂 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.08h， 生成 (dibromomethylene)(2,6-di-t-butylphenyl)phosphine
  参考文献：
  名称：

  Preparation and Properties of Phosphaethynes Bearing Bulky Aryl Groups with Electron-Donating Substituents at the Para Position

  摘要：

  Phosphaethynes bearing a 2,6-di-tert-butyl-4-(dimethylamino)phenyl, 2,6-di-tert-butyl-4-methoxyphenyl, or 2,6-di-tert-butylphenyl group were prepared. A P-31 NMR spectroscopic investigation of the chemical shifts indicated that electron-donating groups at the para position cause shifts to a higher field. Bathochromic shifts caused by the electron-donating groups were apparently observed in UV-vis spectra. The structure of 2-[2,6-di-tert-butyl-4-(dimethylamino)phenyl]-1-phosphaethyne was analyzed by X-ray crystallography.

  DOI：

  10.1021/jo049571q