2-methyl-1-phenyl-7-trifluoromethyl-1H-indole-3-carbonitrile | 922184-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-methyl-1-phenyl-7-trifluoromethyl-1H-indole-3-carbonitrile
• 英文别名: 2-Methyl-1-phenyl-7-(trifluoromethyl)-1H-indole-3-carbonitrile；2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile
• CAS: 922184-61-0
• 化学式: C₁₇H₁₁F₃N₂
• 分子量: 300.283
• InChiKey: JWKUJYKDFQTQQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  28.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(phenylamino)-2-(3-trifluoromethylphenyl)but-2-enenitrile 在 [双(三氟乙酰氧基)碘]苯 作用下， 以 二氯甲烷 为溶剂， 以41%的产率得到2-methyl-1-phenyl-5-trifluoromethyl-1H-indole-3-carbonitrile
  参考文献：
  名称：

  Synthesis of N-Substituted Indole Derivatives via PIFA-Mediated Intramolecular Cyclization

  摘要：

  A variety of N- arylated and N- alkylated indole derivatives were synthesized by way of a phenyliodine bis( trifluoroacetate) ( PIFA)- mediated intramolecular cyclization. This novel method allows for the construction of an indole skeleton by joining the N- atom on the side chain to the benzene ring at the last synthetic step. Other novel pyrrole- fused aromatic compounds can also be achieved by this method.

  DOI：

  10.1021/ol062288o

文献信息

• Synthesis of N-Substituted Indole Derivatives via PIFA-Mediated Intramolecular Cyclization
  作者：Yunfei Du、Renhe Liu、Gregory Linn、Kang Zhao

  DOI：10.1021/ol062288o

  日期：2006.12.1

  A variety of N- arylated and N- alkylated indole derivatives were synthesized by way of a phenyliodine bis( trifluoroacetate) ( PIFA)- mediated intramolecular cyclization. This novel method allows for the construction of an indole skeleton by joining the N- atom on the side chain to the benzene ring at the last synthetic step. Other novel pyrrole- fused aromatic compounds can also be achieved by this method.