3-methoxy-4'-propyl-1,1'-biphenyl | 1202263-58-8

• 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: 3-methoxy-4'-propyl-1,1'-biphenyl
• 英文别名: 1-Methoxy-3-(4-propylphenyl)benzene
• CAS: 1202263-58-8
• 化学式: C₁₆H₁₈O
• 分子量: 226.318
• InChiKey: YMTDTSBCONGKFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  在 三苯基膦氯金 、 silver trifluoromethanesulfonate 作用下， 以 甲苯 为溶剂， 反应 10.0h， 以74%的产率得到3-methoxy-4'-propyl-1,1'-biphenyl
  参考文献：
  名称：

  金（I）催化的串联CH和CC活化（裂解）

  摘要：

  （环亚丙基环己基）苯衍生物是一种含环己基的亚甲基环丙烷（MCP），在AuPPh 3 Cl / AgOTf的存在下，通过转移三个氢原子，可以通过脱氢重排进行有趣的串联分子内CH和C-C键活化从环己烷到环丙烷，从中到高收率得到相应的联芳基衍生物。还通过氘标记实验和DFT计算仔细研究了反应机理。

  DOI：

  10.1021/ol902593f

文献信息

• Water-soluble salen–Pd complex as an efficient catalyst for Suzuki–Miyaura reaction of sterically hindered substrates in pure water
  作者：Ya-shuai Liu、Ning-ning Gu、Ping Liu、Xiao-wei Ma、Yan Liu、Jian-wei Xie、Bin Dai

  DOI：10.1016/j.tet.2015.08.070

  日期：2015.10

  Water-soluble 2N(2)O-salen ligands and their palladium complexes were synthesized and used as efficient catalysts for the Suzuki-Miyaura reactions in pure water. Notably, the reactions of substrates with sterically demanding ortho substituents (aryl bromides and/or arylboronic acids) proceed smoothly to generate corresponding products with moderate to high yields using 0.5 mol % (salph)Pd (salph=N,N'-bis(4-SO3Na-salicylidene)-1,2-phenylenediamine) as the catalyst. Importantly, the catalytic system has the wide substrate scope and the high tolerance to various functional groups, including cyano, amino, nitro, methoxy, and acetyl. Moreover, the biaryl compounds were also obtained on a multi-gram scale by simple recrystallization with the system in the absence of any organic solvent, surfactant, or phase transfer agent and the catalyst was reused directly for the next cycle. Particularly, this protocol can be applied to synthesize aryl-substituted carbazolyl compounds. (C) 2015 Published by Elsevier Ltd.
• US5354905A
  申请人：——

  公开号：US5354905A

  公开（公告）日：1994-10-11
• Gold(I)-Catalyzed Tandem C−H and C−C Activation (Cleavage)
  作者：Min Jiang、Le-Ping Liu、Min Shi、Yuxue Li

  DOI：10.1021/ol902593f

  日期：2010.1.1

  (Cyclopropylidenecyclohexyl)benzene derivatives, a kind of methylenecyclopropane (MCP) containing a cyclohexyl group, can undergo an interesting tandem intramolecular C−H and C−C bond activation through dehydrogenated rearrangement in the presence of AuPPh3Cl/AgOTf by transferring three hydrogen atoms from cyclohexane to cyclopropane, affording the corresponding biaryl derivatives in moderate to good

  （环亚丙基环己基）苯衍生物是一种含环己基的亚甲基环丙烷（MCP），在AuPPh 3 Cl / AgOTf的存在下，通过转移三个氢原子，可以通过脱氢重排进行有趣的串联分子内CH和C-C键活化从环己烷到环丙烷，从中到高收率得到相应的联芳基衍生物。还通过氘标记实验和DFT计算仔细研究了反应机理。