N-benzyl-2-phenyl-5-(4'-(trifluoromethyl)phenyl)-2,3-dihydropyridin-4(1H)-one | 1335247-94-3

• 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: N-benzyl-2-phenyl-5-(4'-(trifluoromethyl)phenyl)-2,3-dihydropyridin-4(1H)-one
• 英文别名: 1-Benzyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydropyridin-4-one；1-benzyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydropyridin-4-one
• CAS: 1335247-94-3
• 化学式: C₂₅H₂₀F₃NO
• 分子量: 407.435
• InChiKey: ZLCZUMBCPWIGHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-benzyl-2,3-dihydro-2-phenyl-1H-pyridin-4-one 、 三乙氧基[4-(三氟甲基)苯基]硅烷 在 palladium diacetate 、 copper (II)-fluoride 作用下， 以 溶剂黄146 、 叔丁醇 为溶剂， 反应 3.75h， 以73%的产率得到N-benzyl-2-phenyl-5-(4'-(trifluoromethyl)phenyl)-2,3-dihydropyridin-4(1H)-one
  参考文献：
  名称：

  Direct Hiyama Cross-Coupling of Enaminones With Triethoxy(aryl)silanes and Dimethylphenylsilanol

  摘要：

  2,3-Dihydropyridin-4(1H)-ones undergo direct C-H functionalization at C5 In the palladium(II)-catalyzed Hiyama reaction, using triethoxy(aryl)silanes and dimethylphenylsilanol. The reagent CuF2 has a dual role In the reactions with triethoxy(aryl)silanes. It Is a source of fluoride to activate the sllane in the Hiyama reaction and also serves as the reoxidant to convert Pd(0) to Pd(II) In the catalytic cycle.

  DOI：

  10.1021/ol202202a

文献信息

• Direct Hiyama Cross-Coupling of Enaminones With Triethoxy(aryl)silanes and Dimethylphenylsilanol
  作者：Lei Bi、Gunda I. Georg

  DOI：10.1021/ol202202a

  日期：2011.10.21

  2,3-Dihydropyridin-4(1H)-ones undergo direct C-H functionalization at C5 In the palladium(II)-catalyzed Hiyama reaction, using triethoxy(aryl)silanes and dimethylphenylsilanol. The reagent CuF2 has a dual role In the reactions with triethoxy(aryl)silanes. It Is a source of fluoride to activate the sllane in the Hiyama reaction and also serves as the reoxidant to convert Pd(0) to Pd(II) In the catalytic cycle.