4-methyl-2-(4-methoxyphenyl)pentanenitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methyl-2-(4-methoxyphenyl)pentanenitrile
• 英文别名: 2-(4-Methoxyphenyl)-4-methylpentanenitrile
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: QQTJATRLQDNCPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异丁醇 、 对甲氧基苯乙腈 在 [IrCP*Cl₂]2 氢氧化钾 作用下， 反应 14.0h， 以93%的产率得到4-methyl-2-(4-methoxyphenyl)pentanenitrile
  参考文献：
  名称：

  Efficient Solvent-Free Selective Monoalkylation of Arylacetonitriles with Mono-, Bis-, and Tris-primary Alcohols Catalyzed by a Cp*Ir Complex

  摘要：

  Our objectives were to develop catalytic atom-economic processes accessing and/or incorporating versatile functionality using aryl/heteroaryl acetonitriles as substrates. We report essentially solvent-free [Cp*IrCl2](2) catalyzed redox neutral processes whereby substituted acetonitriles react with primary alcohols to deliver monosubstituted aryl/heteroaryl acetonitriles in excellent yield. We further demonstrate that such processes can be achieved by conventional or microwave heating and that bis- and tris-primary alcohols are also processed efficiently.

  DOI：

  10.1021/jo061113p

文献信息

• Cu-Catalyzed alkylation–cyanation type difunctionalization of styrenes with aliphatic aldehydes and TMSCN <i>via</i> decarbonylation
  作者：Yu-Ling Zhou、Jun-Jia Chen、Jing Cheng、Luo Yang

  DOI：10.1039/d1ob02376d

  日期：——

  A copper-catalyzed decarbonylative alkylation–cyanation of styrene derivatives with aliphatic aldehydes and trimethylsilyl cyanide to provide chain elongated nitriles is reported. Using TBHP as an oxidant and free radical initiator, the reaction can smoothly convert abundant α-di-substituted, α-mono-substituted and linear aliphatic aldehydes into the corresponding 3°, 2° and 1° alkyl radicals to initiate

  报道了一种铜催化的苯乙烯衍生物与脂肪醛和三甲基甲硅烷基氰化物的脱羰烷基化氰化反应，以提供链延长的腈。使用TBHP作为氧化剂和自由基引发剂，该反应可以将丰富的α-二取代、α-单取代和直链脂肪醛顺利转化为相应的3°、2°和1°烷基自由基，从而引发后续自由基-各种苯乙烯的类型双官能化。
• Efficient Solvent-Free Selective Monoalkylation of Arylacetonitriles with Mono-, Bis-, and Tris-primary Alcohols Catalyzed by a Cp*Ir Complex
  作者：Christian Löfberg、Ronald Grigg、Mark A. Whittaker、Ann Keep、Andrew Derrick

  DOI：10.1021/jo061113p

  日期：2006.10.1

  Our objectives were to develop catalytic atom-economic processes accessing and/or incorporating versatile functionality using aryl/heteroaryl acetonitriles as substrates. We report essentially solvent-free [Cp*IrCl2](2) catalyzed redox neutral processes whereby substituted acetonitriles react with primary alcohols to deliver monosubstituted aryl/heteroaryl acetonitriles in excellent yield. We further demonstrate that such processes can be achieved by conventional or microwave heating and that bis- and tris-primary alcohols are also processed efficiently.