3,3',3''-benzene-1,3,5-trityltris(2-pyridin-3-yl)propanenitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3,3',3''-benzene-1,3,5-trityltris(2-pyridin-3-yl)propanenitrile
• 英文别名: 3-[3,5-Bis(2-cyano-2-pyridin-3-ylethyl)phenyl]-2-pyridin-3-ylpropanenitrile
• 化学式: C₃₀H₂₄N₆
• 分子量: 468.561
• InChiKey: XEVPWAAJHKZJJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-吡啶乙腈 、 均三苄醇 在 [IrCP*Cl₂]2 氢氧化钾 作用下， 反应 0.17h， 以72%的产率得到3,3',3''-benzene-1,3,5-trityltris(2-pyridin-3-yl)propanenitrile
  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

• 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.