1,3-双(1-乙基丙基)苯 | 101371-21-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,3-双(1-乙基丙基)苯
• 英文名称: 1,3-bis(1-ethylpropyl)benzene
• 英文别名: 1,3-bis(3-pentyl)benzene；1,3-di(3-amyl)benzene；Benzene, 1,3-bis(1-ethylpropyl)-；1,3-di(pentan-3-yl)benzene
• CAS: 101371-21-5
• 化学式: C₁₆H₂₆
• 分子量: 218.382
• InChiKey: SDINYLKCWNWJGG-UHFFFAOYSA-N

物化性质

• 沸点：
  276.2±10.0 °C(Predicted)
• 密度：
  0.854±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,3-双(1-乙基丙基)苯 在 硝酸 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 以87%的产率得到2,4-di(1-ethylpropyl)-1-nitrobenzene
  参考文献：
  名称：

  High intensity ultrasound-assisted reduction of sterically demanding nitroaromatics

  摘要：

  Sterically demanding nitroaromatic compounds have been prepared and reduced to their corresponding amines with high intensity ultrasound using hydrazine in the presence of a Raney nickel catalyst. These reactions were dependent on catalyst quality, solvent and ultrasonic amplitude and, in comparison to their silent reactions, proceeded much faster and afforded higher yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.02.038
• 作为产物：
  描述：

  间苯二甲酸二甲酯 在 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 100.0 ℃ 、2.0 MPa 条件下， 反应 16.0h， 生成 1,3-双(1-乙基丙基)苯
  参考文献：
  名称：

  3,7-二乙基壬烷-4，6-二酮的一种制备方法

  摘要：

  本发明公开了3,7‑二乙基壬烷‑4，6‑二酮的一种制备方法，属于化学合成领域。本发明“3,7‑二乙基壬烷‑4，6‑二酮的一种制备方法”以低成本的间苯二甲酸二甲酯为原料，通过消去、加成，催化氢化反应，Birch还原和臭氧氧化四步反应制备3,7‑二乙基壬烷‑4,6二酮，所述方法成本低廉、合成工艺短、反应条件温和、操作方便、安全且收率高，适于大规模工业化生产。

  公开号：

  CN108383705B

文献信息

• Equilibria of isomeric transformations and relations between thermodynamic properties of secondary alkylbenzenes
  作者：A.A Pimerzin、T.N Nesterova、A.M Rozhnov

  DOI：10.1016/0021-9614(85)90117-x

  日期：1985.7

  Equilibria of mutual transformations of monoamylbenzenes and diamylbenzenes (amb), monohexylbenzenes (hxb), monoheptylbenzenes (hpb), and monodecylbenzenes (db) have been studied in the liquid state over the range 273 to 423 K in the presence of 3 to 9 mass per cent of AlCl3. Values of ΔrHmo and ΔrSmo for the reactions studied have been calculated from the temperature dependences of the equilibrium

  已经在 273 至 423 K 范围内，在 3 至 9 质量/克分子的存在下研究了单戊基苯和二戊基苯 (amb)、单己基苯 (hxb)、单庚基苯 (hpb) 和单癸基苯 (db) 的相互转化平衡。 % AlCl3。所研究反应的 ΔrHmo 和 ΔrSmo 值已根据平衡常数的温度依赖性计算得出。下面给出了反应和 ΔrHmo/(kJ·mol-1) 和 ΔrSmo/(kJ·mol-1) 的对应值： 3-AmB = 2-AmB, -(0.16 ± 0.08), (8.45 ± 0.23) ; 3-hxb = 2-hxb, -(0.30 ± 0.07), (3.85 ± 0.21); 3-hpb = 2-hpb, -(0.21 ± 0.07), (3.52 ± 0.22); 3-db = 2-db, -(0.23 ± 0.14), (3.51 ± 0.43); 4-hpb = 3-hpb, (0.02
• Aryllithiums with Increasing Steric Crowding and Lipophilicity Prepared from Chlorides in Diethyl Ether. The First Directly Prepared Room-Temperature-Stable Dilithioarenes
  作者：Constantinos G. Screttas、Barry R. Steele、Maria Micha-Screttas、Georgios A. Heropoulos

  DOI：10.1021/ol302672n

  日期：2012.11.16

  A convenient procedure has been developed for the preparation of synthetically useful, room-temperature-stable aryllithiums starting from aryl chlorides and lithium metal. The method provides a route to aryllithiums which have previously not been accessible cleanly or could only be prepared by using more expensive starting materials.
• Nasterova, T. N.; Roshchupkina, I. Yu.; Pimerzin, A. A., Journal of applied chemistry of the USSR, 1988, vol. 61, # 7, p. 1445 - 1449
  作者：Nasterova, T. N.、Roshchupkina, I. Yu.、Pimerzin, A. A.

  DOI：——

  日期：——
• Chemoselective Catalytic Side-Chain Alkylation of Aromatics by Ethylene Leading to Sterically Demanding Alkylbenzenes
  作者：Barry R. Steele、Constantinos G. Screttas

  DOI：10.1021/ja994432p

  日期：2000.3.1
• Synthesis and properties of 1-bromo-2,3,5,6-tetrakis(3-pentyl)benzene: a highly sterically hindered aryl bromide
  作者：Barry R. Steele、Maria Micha-Screttas、Constantinos G. Screttas

  DOI：10.1016/j.tetlet.2004.10.144

  日期：2004.12

  The preparation of 1-bromo-2,3,5,6-tetrakis(3-pentyl)benzene is reported. The H-1 and C-13 NMR spectra indicate the presence of rotational isomers at room temperature which interconvert on heating. Coalescence of the NMR peaks for the methine and methylene aliphatic protons is observed at 100-120degreesC. The conversion of this aryl bromide to the corresponding aryllithium is reported. Similar but less bulky aryl bromides have also been synthesised. (C) 2004 Elsevier Ltd. All rights reserved.