2,3-二苯基-2-甲基丁烷 | 107524-67-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 2,3-二苯基-2-甲基丁烷
• 英文名称: 2,3-diphenyl-2-methylbutane
• 英文别名: 2-methyl-2,3-diphenyl-butane；2-Methyl-2,3-diphenyl-butan；Cumyl-phenyl-ethane；(2-methyl-3-phenylbutan-2-yl)benzene
• CAS: 107524-67-4
• 化学式: C₁₇H₂₀
• 分子量: 224.346
• InChiKey: ZHPLXSQTGBNACT-UHFFFAOYSA-N

物化性质

• 沸点：
  290.4±10.0 °C(Predicted)
• 密度：
  0.958±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1,3-二氯-3-甲基丁烷 、 苯 在 三氯化铝 作用下， 生成 (3-氯-1,1-二甲基-丙基)-苯 、 2,3-二苯基-2-甲基丁烷
  参考文献：
  名称：

  Reaction of Benzene with Dichloroalkanes Containing Tertiary Carbon Atoms¹

  摘要：

  DOI：

  10.1021/ja01601a065

文献信息

• Two-Step 1,2-Shifts by β-Cleavage of Carbenium Ions and Recombination in Friedel−Crafts Reactions of 2-<i>tert</i>-Butyl-1-tosylaziridines¹
  作者：Konstantinos Bellos、Helmut Stamm

  DOI：10.1021/jo980774m

  日期：1998.10.1

  AlCl3-induced ring cleavage of two 2-tert-butyl-1-tosylaziridines in benzene (PhH) or anisole (AnH) generates carbenium ions (CIs). Subsequent neopentyl rearrangement forms CIs 3a,b, whose beta-cleavage generates +CH2NTsAlC3- (14) and an alkene. The intermediate 14 can recombine with the alkene at either C=C carbon, resulting in a reversal of the cleavage (3a,b) or in a formal 1,2-shift (CIs 12a,b). AnH rapidly removes 14 from these interconverting systems by formation of a methoxybenzylamide species that undergoes fragmentation into TsNHAlCl3- and methoxybenzyl cation, which gives dianisylmethane (main product). PhH reacts slowly with 14, leaving CIs 3a,b and 12a,b more time for other reactions. Unreacted 14 can even be trapped by AnH at the end of a PhH run. Protonation of each alkene forms N-free CIs that react with PhH and AnH. Replacing tosyl in one of the aziridines by benzoyl makes the beta-cleavage markedly slower than both the classic phenyl shift and the internal trapping of CIs.
• Reaction of Benzene with Dichloroalkanes Containing Tertiary Carbon Atoms¹
  作者：Louis Schmerling、Robert W. Welch、James P. West

  DOI：10.1021/ja01601a065

  日期：1956.10