3-(2-chlorophenyl)-2-(pyridin-3-yl)propanenitrile | 92102-70-0

• 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-(2-chlorophenyl)-2-(pyridin-3-yl)propanenitrile
• 英文别名: 3-(2-chloro-phenyl)-2-pyridin-3-yl-propionitrile；3-(2-Chlorophenyl)-2-pyridin-3-ylpropanenitrile
• CAS: 92102-70-0
• 化学式: C₁₄H₁₁ClN₂
• 分子量: 242.708
• InChiKey: YXIBMKRWFLYNKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-吡啶乙腈 、 邻氯苄醇 在 [IrCP*Cl₂]2 氢氧化钾 作用下， 以88%的产率得到3-(2-chlorophenyl)-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

• Pyridylacetonitrile derivatives
  申请人：SDS Biotech K.K.

  公开号：EP0311051A2

  公开（公告）日：1989-04-12

  Pyridylacetonitrile derivatives, inclusive of acid salts and metal complexes thereof, of the general formula wherein X is a halogen atom or a phenylethynyl group, Y is a hydrogen atom, a halogen atom, a methyl group or a trifluoromethyl group, R is a lower alkyl group or a phenyl group which may be substituted or unsubstituted with a halogen atom. These novel pyridylacetonitrile compounds are suitable for use as fungicides or germicides.

  通式如下的吡啶乙腈衍生物，包括其酸盐和金属络合物 其中 X 为卤素原子或苯乙炔基，Y 为氢原子、卤素原子、甲基或三氟甲基，R 为低级烷基或苯基，可被卤素原子取代或未被卤素原子取代。这些新型吡啶乙腈化合物适合用作杀真菌剂或杀菌剂。
• 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.