2,5-dibromo-1,3-bis(bromomethyl)benzene | 689260-65-9

• 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(bromomethyl)benzene
• CAS: 689260-65-9
• 化学式: C₈H₆Br₄
• 分子量: 421.752
• InChiKey: MYSKIJCUGURQGX-UHFFFAOYSA-N

物化性质

• 熔点：
  96-98 °C(Solv: hexane (110-54-3))
• 沸点：
  390.2±37.0 °C(Predicted)
• 密度：
  2.332±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  氰化钾 、 2,5-dibromo-1,3-bis(bromomethyl)benzene 在 18-冠醚-6 、 potassium iodide 作用下， 以 水 、 乙腈 为溶剂， 反应 24.0h， 以90%的产率得到2,5-dibromo-1,3-bis(cyanomethyl)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
• 作为产物：
  描述：

  4-溴-3,5-二甲基苯胺 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 硫酸 、 sodium nitrite 作用下， 以 四氯化碳 、 溶剂黄146 为溶剂， 反应 5.0h， 生成 2,5-dibromo-1,3-bis(bromomethyl)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.