2-三氟甲基喹啉-6-甲腈 | 868662-64-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 2-三氟甲基喹啉-6-甲腈
• 英文名称: 2-trifluoromethyl-6-cyanoquinoline
• 英文别名: 2-Trifluoromethylquinoline-6-carbonitrile；2-(trifluoromethyl)quinoline-6-carbonitrile
• CAS: 868662-64-0
• 化学式: C₁₁H₅F₃N₂
• 分子量: 222.169
• InChiKey: PRWOBMOPXURCSM-UHFFFAOYSA-N

物化性质

• 沸点：
  306.2±37.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-trifluoromethyl-1-(4-cyanophenylamino)-3-(4-cyanophenylimino)propene 在 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 6.0h， 生成 2-三氟甲基喹啉-6-甲腈
  参考文献：
  名称：

  New Regiospecific Synthesis of 2-Trifluoromethyl-1,5 Diazapentadiene Compounds and of 2-Trifluoromethylquinolines, Their Cyclization Products

  摘要：

  2-Trifluoromethylquinolines 5 are synthesized in high yields using a perfluoroalkylated gemiodoacetoxy derivative 3 and arylamines 4. The intermediate of this reaction, 2-trifluoromethyl-1,5-diazapentadiene compound 6, was isolated. The procedures are easy, and yields are in general high. This sequence represents a valuable new synthesis of substituted 2-trifluoromethylquinolines and of 2-trifluoromethyl-diazapentadienes (vinamidine compounds).

  DOI：

  10.1021/jo050586d

文献信息

• New Regiospecific Synthesis of 2-Trifluoromethyl-1,5 Diazapentadiene Compounds and of 2-Trifluoromethylquinolines, Their Cyclization Products
  作者：Salem El Kharrat、Myriem Skander、Abdelkader Dahmani、Philippe Laurent、Hubert Blancou

  DOI：10.1021/jo050586d

  日期：2005.10.1

  2-Trifluoromethylquinolines 5 are synthesized in high yields using a perfluoroalkylated gemiodoacetoxy derivative 3 and arylamines 4. The intermediate of this reaction, 2-trifluoromethyl-1,5-diazapentadiene compound 6, was isolated. The procedures are easy, and yields are in general high. This sequence represents a valuable new synthesis of substituted 2-trifluoromethylquinolines and of 2-trifluoromethyl-diazapentadienes (vinamidine compounds).