6,7,8-三氟-4-羰基-1H-喹啉-3-甲腈 | 144367-58-8

• 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: 6,7,8-三氟-4-羰基-1H-喹啉-3-甲腈
• 英文名称: 6,7,8-trifluoro-4-quinolone-3-carbonitrile
• 英文别名: 6,7,8-Trifluoro-4-oxo-1,4-dihydroquinoline-3-carbonitrile；6,7,8-trifluoro-4-oxo-1H-quinoline-3-carbonitrile
• CAS: 144367-58-8
• 化学式: C₁₀H₃F₃N₂O
• mdl: MFCD09950763
• 分子量: 224.142
• InChiKey: QERDUNPZZRICRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-cyano-3-(2,3,4-trifluorophenyl)aminoacrylic acid ethyl ester 以 二苯醚 为溶剂， 反应 0.33h， 以74.2%的产率得到6,7,8-三氟-4-羰基-1H-喹啉-3-甲腈
  参考文献：
  名称：

  Microwave-Assisted Simple Synthesis of Substituted 4-Quinolone Derivatives

  摘要：

  A simple and efficient method was developed for the synthesis of 4-quinolone-3-carboxylic esters and 4-quinolone-3-carbonitriles under microwave (MW) activation using anilines and acrylates as materials. All reactions demonstrated the benefits of microwave reactions: convenient operation, short reaction time, and good yields.

  DOI：

  10.1080/00397910902906503

文献信息

• Microwave-Assisted Simple Synthesis of Substituted 4-Quinolone Derivatives
  作者：Xin Cao、Qi-Dong You、Zhi-Yu Li、Yan Yang、Xiao-Jian Wang

  DOI：10.1080/00397910902906503

  日期：2009.11.18

  A simple and efficient method was developed for the synthesis of 4-quinolone-3-carboxylic esters and 4-quinolone-3-carbonitriles under microwave (MW) activation using anilines and acrylates as materials. All reactions demonstrated the benefits of microwave reactions: convenient operation, short reaction time, and good yields.