1-Benzyl-3-cyclopropylbenzene | 1621097-08-2

• 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: 1-Benzyl-3-cyclopropylbenzene
• 英文别名: 1-benzyl-3-cyclopropylbenzene
• CAS: 1621097-08-2
• 化学式: C₁₆H₁₆
• 分子量: 208.303
• InChiKey: BMNUOOCHJVXKSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  1-溴-3-环丙烷基苯 、 bromozinc(1+),methanidylbenzene 在 C₃₀H₂₁F₆N₂NiO₂P 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以99%的产率得到1-Benzyl-3-cyclopropylbenzene
  参考文献：
  名称：

  Synthesis of Ni(II) complexes with unsymmetric [O,N,O′]-pincer ligands and their use as precatalysts in carbon–carbon bond formations to access diarylmethanes

  摘要：

  1-Acetyl-[1a,3,5-CF3,1-C(=O)CH3] and 1-benzoyl-5-hydroxypyrazolines [1b, 3,5-CF3, 1-C(=O)C6H5] have been synthesized and reacted with Ni(OAc)(2)center dot 4H(2)O in the presence of PPh3 to form square planar nickel complexes, which revealed a O,N,O'-coordination. An additional coordination site on the nickel center is occupied by one triphenylphosphane ligand. After having investigated the properties of the complexes, catalytic experiments have been carried out to synthesize diarylmethanes. Applying the complexes in the nickel-catalyzed carbon-carbon cross coupling of aryl halides with benzylzinc bromide excellent yields and selectivities of the corresponding diarylmethane have been obtained. Moreover, various experiments have been performed to shed light on the underlying reaction mechanism. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.05.023