2,5-dibromo-1,3-bis(1-cyano-1-methylethyl)benzene | 740815-83-2

• 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: 2,5-dibromo-1,3-bis(1-cyano-1-methylethyl)benzene
• 英文别名: 2-[2,5-Dibromo-3-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile
• CAS: 740815-83-2
• 化学式: C₁₄H₁₄Br₂N₂
• 分子量: 370.087
• InChiKey: OQQUUYVCJQWNOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,5-dibromo-1,3-bis(1-cyano-1-methylethyl)benzene 在 氢氧化钾 、 二异丁基氢化铝 、 一水合肼 作用下， 以 正己烷 、 苯 、 三乙二醇 为溶剂， 反应 9.0h， 生成 2,5-dibromo-1,3-di-tert-butylbenzene
  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：

  碘甲烷 、 2,5-dibromo-1,3-bis(cyanomethyl)benzene 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 反应 72.0h， 以87%的产率得到2,5-dibromo-1,3-bis(1-cyano-1-methylethyl)benzene
  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

文献信息

• Preparation and Properties of Phosphaethynes Bearing Bulky Aryl Groups with Electron-Donating Substituents at the Para Position
  作者：Kozo Toyota、Subaru Kawasaki、Masaaki Yoshifuji

  DOI：10.1021/jo049571q

  日期：2004.7.1

  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.