4-二苄基甲基吡啶 | 110149-05-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: 4-二苄基甲基吡啶
• 英文名称: 4-dibenzylmethylpyridine
• 英文别名: 4-(1-benzyl-2-phenyl-ethyl)-pyridine；4-(1-Benzyl-2-phenyl-aethyl)-pyridin；4-(1,3-Diphenylpropan-2-yl)pyridine
• CAS: 110149-05-8
• 化学式: C₂₀H₁₉N
• 分子量: 273.378
• InChiKey: WRYYEGYEXHRJAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-甲基吡啶 在 lithium diisopropyl amide 作用下， 反应 6.0h， 生成 4-二苄基甲基吡啶
  参考文献：
  名称：

  Study of Radical Merostabilization by Electrospray FTICR/MS

  摘要：

  The threshold fragmentation energies (E(0)) of three different 4-(1'-substituted-2'-phenethyl)-1-methylpyridinium salts containing a neutral, an electron-donor, or an electron-acceptor group as alpha-substituent, respectively, were measured by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR/MS) collisionally activated dissociation (CAD). N-Methyl-4-(1-ethoxy-2-phenylethyl)pyridinium iodide (10), containing both electron-donor and electron-acceptor substituent groups, has a significantly lower E(0) than the analogs containing a benzyl (6) or benzoyl (7) substituent. This was ascribed to merostabilization of the corresponding radical 19, and this conclusion was further supported by theoretical calculations.

  DOI：

  10.1021/ja962027h

文献信息

• Reduction and Benzylation by Means of Benzyl Alcohol. III. Experiments in the Pyridine Series¹
  作者：Moshe Avramoff、Yaër Sprinzak

  DOI：10.1021/ja01597a063

  日期：1956.8
• The Use of Organolithium Compounds to Effect the Alkylation of 2- and 4-Picoline¹
  作者：Carl Osuch、Robert Levine

  DOI：10.1021/ja01589a066

  日期：1956.4
• Study of Radical Merostabilization by Electrospray FTICR/MS
  作者：Alan R. Katritzky、Petia A. Shipkova、Ming Qi、Daniel A. Nichols、Richard D. Burton、Clifford H. Watson、John R. Eyler、Toomas Tamm、Mati Karelson、Michael C. Zerner

  DOI：10.1021/ja962027h

  日期：1996.1.1

  The threshold fragmentation energies (E(0)) of three different 4-(1'-substituted-2'-phenethyl)-1-methylpyridinium salts containing a neutral, an electron-donor, or an electron-acceptor group as alpha-substituent, respectively, were measured by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR/MS) collisionally activated dissociation (CAD). N-Methyl-4-(1-ethoxy-2-phenylethyl)pyridinium iodide (10), containing both electron-donor and electron-acceptor substituent groups, has a significantly lower E(0) than the analogs containing a benzyl (6) or benzoyl (7) substituent. This was ascribed to merostabilization of the corresponding radical 19, and this conclusion was further supported by theoretical calculations.