2-(2,4,5-Tricyanophenyl)-4,4-dimethylpentanenitrile

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(2,4,5-Tricyanophenyl)-4,4-dimethylpentanenitrile
• 英文别名: 5-(1-Cyano-3,3-dimethylbutyl)benzene-1,2,4-tricarbonitrile
• 化学式: C₁₆H₁₄N₄
• 分子量: 262.314
• InChiKey: AAKHJOPGTAZMTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2,4,5-Tricyanophenyl)-4,4-dimethylpentanenitrile 生成 (3R,4S)/(3S,4R)-2-(2,4,5-Tricyanophenyl)-3-methyl-1,4-butanedioic acid dimethyl ester
  参考文献：
  名称：

  Mella Mariella, Fagnoni Maurizio, Albini Angelo, J. Org. Chem, 59 (1994) N 19, S 5614-5622

  摘要：

  DOI：
• 作为产物：
  描述：

  2-叔-丁基-2-甲基-1,3-二氧戊环 、 1,2,4,5-四氰基苯 、 丙烯腈 以42%的产率得到
  参考文献：
  名称：

  Mella Mariella, Fagnoni Maurizio, Albini Angelo, J. Org. Chem, 59 (1994) N 19, S 5614-5622

  摘要：

  DOI：

文献信息

• Alkylation of alkenes by radicals generated through photoinduced single electron transfer
  作者：Maurizio Fagnoni、Mariella Mella、Angelo Albini

  DOI：10.1016/0040-4020(94)00976-2

  日期：1995.1

  When the irradiation is carried out in the presence of electron-withdrawing substituted alkenes, the radical is trapped and the adduct radical either couples with TCB-• (the overall process is then radical olefin coupling - aromatic substitution) or is reduced by it (resulting in TCB photosensitized alkene alkylation). The effect of the radical precursor structure and of the medium on these new reaction

  在几个供体的存在下1,2,4,5- benzenetetracarbonitrile（TCB）（一些2-照射吨丁基-1,3-二氧戊环，新戊酸，吨-butyltrimethylstannane，吨丁基二Ñ辛基醚）引线使供体自由基阳离子断裂，得到叔丁基。当在吸电子取代的烯烃的存在下进行辐照时，自由基被捕集，加合物自由基与TCB- •偶联。（然后整个过程是自由基烯烃偶联-芳族取代）或被还原（导致TCB光敏烯烃烷基化）。讨论了自由基前体结构和介质对这些新反应的影响。
• Radicals through Photoinduced Electron Transfer. Addition to Olefin and Addition to Olefin-Aromatic Substitution Reactions
  作者：Mariella Mella、Maurizio Fagnoni、Angelo Albini

  DOI：10.1021/jo00098a019

  日期：1994.9

  The radical cations of 2,2-dialkyl- and 2-alkyl-2-aryl-1,3-dioxolanes, when generated in solution by photoinduced electron transfer to 1,2,4,5-benzenetetracarbonitrile (TCB), fragment to yield alkyl radicals. These are trapped by electron-withdrawing substituted alkenes (acrylonitrile, methyl acrylate, methyl vinyl ketone, as well as dimethyl maleate and fumarate). The radicals thus formed are either reduced by the TCB radical anion or add to it. In the first process (observed only with the diesters) the end result is reductive alkylation of the olefin, while the latter process results in an addition to the olefin-aromatic substitution reaction, The selectivity of the process is explained on the basis of steric hindrance, since the radicals react when still in the cage with the aromatic radical anion.
• Fasani, Elisa; Mella, Mariella; Albini, Angelo, Journal of the Chemical Society. Perkin transactions II, 1995, # 3, p. 449 - 452
  作者：Fasani, Elisa、Mella, Mariella、Albini, Angelo

  DOI：——

  日期：——
• Mella Mariella, Fagnoni Maurizio, Albini Angelo, J. Org. Chem, 59 (1994) N 19, S 5614-5622
  作者：Mella Mariella, Fagnoni Maurizio, Albini Angelo

  DOI：——

  日期：——