2-isopropyl-5-phenylfuran-3-carbonitrile | 1367708-00-6

• 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: 2-isopropyl-5-phenylfuran-3-carbonitrile
• 英文别名: 5-Phenyl-2-propan-2-ylfuran-3-carbonitrile；5-phenyl-2-propan-2-ylfuran-3-carbonitrile
• CAS: 1367708-00-6
• 化学式: C₁₄H₁₃NO
• 分子量: 211.263
• InChiKey: ZIISBPDVDDSXTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氧代-4-甲基戊腈 、 苯乙炔 在 potassium acetate 、 silver carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 2-isopropyl-5-phenylfuran-3-carbonitrile 、 2-isopropyl-4-phenylfuran-3-carbonitrile
  参考文献：
  名称：

  Silver-Mediated Oxidative C–H/C–H Functionalization: A Strategy To Construct Polysubstituted Furans

  摘要：

  A novel silver-mediated highly selective oxidative C-H/C-H functionalization of 1,3-dicarbonyl compounds with terminal alkynes for the creation of polysubstituted furans and pyrroles in one step has been demonstrated. Promoted by the crucial silver species, perfect selectivity and good to excellent yields could be achieved. This protocol represents an extremely simple and atom-economic way to construct polysubstituted furans and pyrroles from basic starting materials under mild conditions.

  DOI：

  10.1021/ja301153k

文献信息

• Silver-Mediated Oxidative C–H/C–H Functionalization: A Strategy To Construct Polysubstituted Furans
  作者：Chuan He、Sheng Guo、Jie Ke、Jing Hao、Huan Xu、Hongyi Chen、Aiwen Lei

  DOI：10.1021/ja301153k

  日期：2012.4.4

  A novel silver-mediated highly selective oxidative C-H/C-H functionalization of 1,3-dicarbonyl compounds with terminal alkynes for the creation of polysubstituted furans and pyrroles in one step has been demonstrated. Promoted by the crucial silver species, perfect selectivity and good to excellent yields could be achieved. This protocol represents an extremely simple and atom-economic way to construct polysubstituted furans and pyrroles from basic starting materials under mild conditions.