N-(2-butyl)pentafluoroaniline | 135733-51-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(2-butyl)pentafluoroaniline
• 英文别名: N-butan-2-yl-2,3,4,5,6-pentafluoroaniline
• CAS: 135733-51-6
• 化学式: C₁₀H₁₀F₅N
• mdl: MFCD11119205
• 分子量: 239.188
• InChiKey: OHBQMRQEHHIGTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  perfluorophenyl azide 、 丁烷 反应 4.0h， 以7.6%的产率得到N-(2-butyl)pentafluoroaniline
  参考文献：
  名称：

  Mechanistic analysis of the reactions of (pentafluorophenyl)nitrene in alkanes

  摘要：

  Photolysis of pentafluorophenyl azide in n-butane, cyclopentane, or 2,3-dimethylbutane releases singlet (pentafluorophenyl)nitrene, which can insert into a CH bond, ring expand to a ketenimine, or undergo intersystem crossing (ISC) to the triplet state of the nitrene. In alkanes at 25-degrees-C ring expansion is the major process, CH insertion is only modest, and ISC is unimportant. At temperatures below -78-degrees-C, ISC is the dominant process. Differential activation parameters are derived and compared with those of phenyl azide.

  DOI：

  10.1021/jo00022a036

文献信息

• YOUNG, MARY JENNIFER T.;PLATZ, MATTHEW S., TETRAHEDRON LETT., 30,(1989) N7, C. 2199-2202
  作者：YOUNG, MARY JENNIFER T.、PLATZ, MATTHEW S.

  DOI：——

  日期：——
• Mechanistic analysis of the reactions of (pentafluorophenyl)nitrene in alkanes
  作者：Mary J. T. Young、Matthew S. Platz

  DOI：10.1021/jo00022a036

  日期：1991.10

  Photolysis of pentafluorophenyl azide in n-butane, cyclopentane, or 2,3-dimethylbutane releases singlet (pentafluorophenyl)nitrene, which can insert into a CH bond, ring expand to a ketenimine, or undergo intersystem crossing (ISC) to the triplet state of the nitrene. In alkanes at 25-degrees-C ring expansion is the major process, CH insertion is only modest, and ISC is unimportant. At temperatures below -78-degrees-C, ISC is the dominant process. Differential activation parameters are derived and compared with those of phenyl azide.