2,2,2-trifluoro-1-(4-(2-phenoxyethoxy)quinolin-3-yl)ethanone

• 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
• 英文名称: 2,2,2-trifluoro-1-(4-(2-phenoxyethoxy)quinolin-3-yl)ethanone
• 英文别名: 3-(Trifluoroacetyl)-4-(2-phenoxyethoxy)quinoline；2,2,2-trifluoro-1-[4-(2-phenoxyethoxy)quinolin-3-yl]ethanone
• 化学式: C₁₉H₁₄F₃NO₃
• 分子量: 361.32
• InChiKey: LPRRUIQQFVHFKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  二甲基-喹啉-4-基-胺 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 90.0h， 生成 2,2,2-trifluoro-1-(4-(2-phenoxyethoxy)quinolin-3-yl)ethanone
  参考文献：
  名称：

  SIMPLE SYNTHESES OF 3-TRIFLUOROACETYL-4-QUINOLYLAMINES, SULFIDES, AND ETHERS STARTING FROM N,N-DIMETHYL-4-QUINOLYLAMINE

  摘要：

  New 3-trifluoroacetyl-4-quinolylamines (2), sulfides (3), and ethers (4) were synthesized in good to high yields by aromatic nucleophilic substitution reactions of N,N-dimethyl-3-trifluoroacetyl-4-quinolylamine (1), which was easily prepared by acylation of N,N-dimethyl-4-quinolylamine with 1-trifluoroacetyl-4-dimethylaminopyridinium trifluoroacetate, with amines, thiols, alcohols, and phenols.

  DOI：

  10.3987/com-12-s(n)73

文献信息

• SIMPLE SYNTHESES OF 3-TRIFLUOROACETYL-4-QUINOLYLAMINES, SULFIDES, AND ETHERS STARTING FROM N,N-DIMETHYL-4-QUINOLYLAMINE
  作者：Etsuji Okada、Mizuki Hatakenaka、Takushi Sakaemura、Naofumi Shimomura、Takuro Ashida

  DOI：10.3987/com-12-s(n)73

  日期：——

  New 3-trifluoroacetyl-4-quinolylamines (2), sulfides (3), and ethers (4) were synthesized in good to high yields by aromatic nucleophilic substitution reactions of N,N-dimethyl-3-trifluoroacetyl-4-quinolylamine (1), which was easily prepared by acylation of N,N-dimethyl-4-quinolylamine with 1-trifluoroacetyl-4-dimethylaminopyridinium trifluoroacetate, with amines, thiols, alcohols, and phenols.