2,5-Dibutylbenzonitrile

• 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-Dibutylbenzonitrile
• 化学式: C₁₅H₂₁N
• 分子量: 215.338
• InChiKey: AEWBVQAWMRXQGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-碘丁烷 、 1,2-二氰基苯 在 氨 、 氢化钾 作用下， 以19%的产率得到2-丁基苯甲腈
  参考文献：
  名称：

  Panteleeva; Bilkis; Steingarts, Russian Journal of Organic Chemistry, 1998, vol. 34, # 11, p. 1632 - 1639

  摘要：

  DOI：

文献信息

• Reductive activation of arenes: XIX. Mechanism and some synthetic applications of the alkylation of phthalodinitrile radical anion
  作者：E. V. Panteleeva、T. A. Vaganova、E. A. Luk’yanets、V. D. Shteingarts

  DOI：10.1134/s1070428006090053

  日期：2006.9

  Using cyclopropylmethyl bromide as mechanism-sensitive reagent, it was shown that the reaction of phthalonitrile radical anion with alkyl halides in liquid ammonia involves electron transfer. The effects of the nature of alkyl bromide and counterion in the radical anion salt and reaction conditions on the ratio of 2-alkylbenzonitrile, 4-alkylphthalonitrile, and 2,5-dialkylbenzonitrile were studied. Phthalodinitrile radical anion was found to undergo dimerization with formation of biphenyl-2,'3',4'-tricarbonitrile. The examined transformations may underlie syntheses of phthalonitriles modified at the 4-position.
• Panteleeva; Bilkis; Steingarts, Russian Journal of Organic Chemistry, 1998, vol. 34, # 11, p. 1632 - 1639
  作者：Panteleeva、Bilkis、Steingarts

  DOI：——

  日期：——