(4-methylpentane-1,4-diyl)dibenzene | 52692-45-2

• 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: (4-methylpentane-1,4-diyl)dibenzene
• 英文别名: 4-Methyl-1,4-diphenylpentan；1,1'-(4-Methylpentane-1,4-diyl)dibenzene；(2-methyl-5-phenylpentan-2-yl)benzene
• CAS: 52692-45-2
• 化学式: C₁₈H₂₂
• 分子量: 238.373
• InChiKey: ZOJBHGHAXTVJGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  乙基苯 、 (1,1-二甲基丁基)苯 在 W(N-2,6-iPr₂C₆H₃)(C₃H₆)(pyrrolide)(O-2,6-(2,4,6-i-Pr₃C₆H₂)₂C₆H₃) 、 (tBuPOCOP)Ir(C₂H₄) 作用下， 反应 48.0h， 以18%的产率得到(4-methylpentane-1,4-diyl)dibenzene
  参考文献：
  名称：

  Catalytic Synthesis of n-Alkyl Arenes through Alkyl Group Cross-Metathesis

  摘要：

  n-Alkyl arenes were prepared in a one-pot tandem dehydrogenation/olefin metathesis/hydrogenation sequence directly from alkanes and ethylbenzene. Excellent selectivity was observed when ((PCP)-P-tBu)IrH2 was paired with tungsten monoaryloxide pyrrolide complexes such as W(NAr)(C3H6)(pyr)(OHIPT) (1a) [AT = 2,6-i-Pr2C6H3; pyr = pyrrolide; OHIPT = 2,6-(2,4,6-i-Pr3C6H2)(2)C6H3O]. Complex 1a was also especially active in n-octane self-metathesis, providing the highest product concentrations reported to date. The thermal stability of selected olefin metathesis catalysts allowed elevated temperatures and extended reaction times to be employed.

  DOI：

  10.1021/ja4066392

文献信息

• Intramolecular transfer of complexed radicals as a possible explanation for long-range substituent effects observed in a hydrogen abstraction reaction
  作者：David D. Newkirk、Gerald J. Gleicher

  DOI：10.1021/ja00818a030

  日期：1974.5
• Catalytic Synthesis of <i>n</i>-Alkyl Arenes through Alkyl Group Cross-Metathesis
  作者：Graham E. Dobereiner、Jian Yuan、Richard R. Schrock、Alan S. Goldman、Jason D. Hackenberg

  DOI：10.1021/ja4066392

  日期：2013.8.28

  n-Alkyl arenes were prepared in a one-pot tandem dehydrogenation/olefin metathesis/hydrogenation sequence directly from alkanes and ethylbenzene. Excellent selectivity was observed when ((PCP)-P-tBu)IrH2 was paired with tungsten monoaryloxide pyrrolide complexes such as W(NAr)(C3H6)(pyr)(OHIPT) (1a) [AT = 2,6-i-Pr2C6H3; pyr = pyrrolide; OHIPT = 2,6-(2,4,6-i-Pr3C6H2)(2)C6H3O]. Complex 1a was also especially active in n-octane self-metathesis, providing the highest product concentrations reported to date. The thermal stability of selected olefin metathesis catalysts allowed elevated temperatures and extended reaction times to be employed.