1,3-二丁基苯 | 17171-74-3

• 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: 1,3-二丁基苯
• 英文名称: 1,3-dibutylbenzene
• 英文别名: 1,3-dibutyl-benzene；1,3-Dibutyl-benzol；1,3-di-n-butylbenzene；1,3-Di-n-butylbenzol；m-Di-n-butylbenzol
• CAS: 17171-74-3
• 化学式: C₁₄H₂₂
• 分子量: 190.329
• InChiKey: BLZIWBDUMUJHOE-UHFFFAOYSA-N

物化性质

• 沸点：
  75-76 °C(Press: 0.4 Torr)
• 密度：
  0.8759 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  丁苯 在 tetrafluoroboric acid 作用下， 生成 1,3-二丁基苯
  参考文献：
  名称：

  Hf-bf3 treating of normal alkylbenzenes

  摘要：

  公开号：

  US02753384A1

文献信息

• Nickel-Phosphine Complex-Catalyzed Grignard Coupling. I. Cross-Coupling of Alkyl, Aryl, and Alkenyl Grignard Reagents with Aryl and Alkenyl Halides: General Scope and Limitations
  作者：Kohei Tamao、Koji Sumitani、Yoshihisa Kiso、Michio Zembayashi、Akira Fujioka、Shun-ichi Kodama、Isao Nakajima、Akio Minato、Makoto Kumada

  DOI：10.1246/bcsj.49.1958

  日期：1976.7

  (s)), aryl, and alkenyl Grignard reagents and nonfused, fused, and substituted aromatic halides and haloolefins. Limitations lie in sluggish reactions between alkyl Grignard reagents and dihaloethylenes. The most effective catalysts are [Ni(C6H5)2P(CH2)3P(C6H5)2}Cl2] for alkyl and simple aryl Grignard reagents, [Ni(CH3)2P(CH2)2P(CH3)2}Cl2] for alkenyl and allylic Grignard reagents and [NiP(C6H5)3}2-Cl2]

  已经确定，二卤代二膦镍 (II) 配合物对格氏试剂与芳基和链烯基卤化物的选择性交叉偶联表现出极高的催化活性。由于该催化反应程序简单、反应条件温和、偶联产物的收率和纯度高，以及广泛适用于涉及伯和仲烷基的反应（无论β-的存在与否），该催化反应可用于合成实践。氢 (s))、芳基和烯基格氏试剂以及非稠合、稠合和取代的芳族卤化物和卤代烯烃。限制在于烷基格氏试剂和二卤乙烯之间的缓慢反应。对于烷基和简单的芳基格氏试剂，最有效的催化剂是 [Ni(C6H5)2P(CH2)3P(C6H5)2}Cl2]，[Ni(CH3)2P(CH2)2P(CH3)2}Cl2] 用于烯基和烯丙基格氏试剂，[NiP(C6H5)3}2-Cl2] 用于空间位阻芳基格氏试剂和卤化物。膦配体对...的巨大稳定作用
• Monoorganylation of dihaloaromatics
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04538003A1

  公开（公告）日：1985-08-27

  Process for the monoalkylation/monoarylation of dihaloaromatic compounds by treating the latter with selected magnesium or zinc organometallic reagents in the presence of a nickel/bidentate or tridentate phosphorus ligand. The products are intermediates to agricultural and pharmaceutical compounds.

  通过在镍/二齿或三齿磷配体存在下，用选择的镁或锌有机金属试剂处理二卤芳香化合物的单烷基化/单芳基化过程。 该产品是农药和制药化合物的中间体。
• Two Flavors of PEPPSI-IPr: Activation and Diffusion Control in a Single NHC-Ligated Pd Catalyst?
  作者：Igor Larrosa、Clara Somoza、Alexandre Banquy、Stephen M. Goldup

  DOI：10.1021/ol1027283

  日期：2011.1.7

  Abnormal reactivity has been observed in Negishi, Suzuki Miyaura, and Kumada Tamao Corriu cross-couplings in which PEPPSI-IPr (where PEPPSI stands for pyridine enhanced precatalyst preparation, stabilization, and initiation and IPr refers to the NHC ligand) is employed, implicating the presence of two distinct Pd-0 species in the catalytic cycle. Polybrominated arenes and organometallic reagents react selectively to give the product of exhaustive polysubstitution regardless of the initial reaction stoichiometry. Competition experiments suggest that, after an initial activation controlled oxidative addition, reductive elimination produces an ultrareactive Pd-0 species which consumes all remaining C-Br bonds in the molecule under diffusion control.
• Palladium-Catalyzed Alkylation−Hydride Reduction Sequence:  Synthesis of Meta-Substituted Arenes
  作者：Thorsten Wilhelm、Mark Lautens

  DOI：10.1021/ol051628n

  日期：2005.9.1

  A new three-component, palladium-catalyzed domino reaction which gives access to meta-Substituted arenes using aryl iodides and primary alkyl halides is reported. Various functional groups are tolerated on both the aryl iodide and alkyl halide. In addition, isotopic labeling studies provide insight into the mechanism of this Catellani-type reaction.
• Hf-bf3 treating of normal alkylbenzenes
  申请人：STANDARD OIL CO

  公开号：US02753384A1

  公开（公告）日：1956-07-03