1,3-Di(p-tolyl)butane

• 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
• 英文名称: 1,3-Di(p-tolyl)butane
• 英文别名: 1-methyl-4-[4-(4-methylphenyl)butan-2-yl]benzene
• 化学式: C₁₈H₂₂
• 分子量: 238.373
• InChiKey: UIJQNSFKBMRDKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  18
• 可旋转键数：
  4
• 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：

  1,3-di-p-tolylbut-2-en-1-one 在 copper chromite 氢气 作用下， 240.0~250.0 ℃ 、13.17 MPa 条件下， 生成 1,3-Di(p-tolyl)butane
  参考文献：
  名称：

  Sodium-Catalyzed Reactions of o-, m- and p-Methylstyrene in the Presence of Toluene^1,2

  摘要：

  DOI：

  10.1021/jo01069a011

文献信息

• Thermal heterocyclization of methyl aryl ketazines. 2. Reactions of the tautomeric enehydrazine form
  作者：Yu. V. Shurukhin、N. A. Klyuev、I. I. Grandberg

  DOI：10.1007/bf00522730

  日期：1986.7
• Comparison of the Regiochemical Behavior of Zirconium and Hafnium in the Polyinsertion of Styrenes
  作者：Nunzia Galdi、Lorella Izzo、Leone Oliva

  DOI：10.1021/om1001342

  日期：2010.10.25

  The hafnocene-based catalyst ethylenebis(1-indenyl)hafnium dichloride/methylalumoxane, as well as its zirconium analogue, is able to oligomerize styrene, p-methylstyrene, and p-tert-butylstyrene in the presence of hydrogen to produce hydrooligomers. The composition of the product mixture compared to that obtained using zirconium-based catalysts indicates that the primary insertion occurs with greater frequency. This difference in regioselectivity is likely to be related to the electronic differences between the two metal centers. Previous experimental and theoretical evidence suggests that increasing the electron density at the incoming metal carbon bond decreases the preference for the secondary insertion; so by exploiting the contribution from the electron-releasing substituent of the monomer and changing the metal center, from zirconium to hafnium, the regiochemistry of insertion can be inverted from secondary to prevailingly primary. The styrene regiochemistry of insertion is engraved into the structure of ethylene styrene copolymers. Some relevant differences can be observed by comparing the C-13 NMR spectra of copolymer obtained with zirconium- and hafnium-based catalysts. In fact the structure of the chains obtained with hafnium, compared to zirconium, shows higher styrene uptake and the presence of styrene homosequences and of regioirregularly arranged units.
• Synthesis and transformations of metallacycles
  作者：A. G. Ibragimov、L. O. Khafizova、K. G. Satenov、L. M. Khalilov、L. G. Yakovleva、S. V. Rusakov、U. M. Dzhemilev

  DOI：10.1007/bf02496415

  日期：1999.8

  The Cp2ZrCl2-catalyzed reaction of arylolefins (styrene, o- and p-methylstyrenes, trans-stilbene, 1,4-diphenyl-1,3-butadiene) with AlEt3 resulting in mono- and disubstituted alumacyclopentanes and substituted alumacyclopropanes was studied. The yield and ratio of cyclic organoaluminum compounds depend on the structure of the initial alylolefins and conditions of cycloalumination.
• Sodium-Catalyzed Reactions of o-, m- and p-Methylstyrene in the Presence of Toluene^1,2
  作者：HERMAN PINES、JOSEPH SHABTAI

  DOI：10.1021/jo01069a011

  日期：1961.11