3-ethoxycarbonyl-1-phenyl-5,6,7,8-tetrafluoro-1,4-dihydrocinnolin-4-one | 19174-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-ethoxycarbonyl-1-phenyl-5,6,7,8-tetrafluoro-1,4-dihydrocinnolin-4-one
• 英文别名: 3-Ethoxycarbonyl-5,6,7,8-tetrafluor-1-phenyl-cinnolon-(4)；5,6,7,8-tetrafluoro-4-oxo-1-phenyl-1,4-dihydro-cinnoline-3-carboxylic acid ethyl ester；Ethyl 5,6,7,8-tetrafluoro-4-oxo-1-phenylcinnoline-3-carboxylate
• CAS: 19174-89-1
• 化学式: C₁₇H₁₀F₄N₂O₃
• 分子量: 366.272
• InChiKey: LBXDKQFSXRNCKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  邻苯二胺 、 3-Oxo-3-pentafluorophenyl-2-(phenyl-hydrazono)-propionic acid ethyl ester 以 xylene 为溶剂， 反应 20.0h， 以84%的产率得到3-ethoxycarbonyl-1-phenyl-5,6,7,8-tetrafluoro-1,4-dihydrocinnolin-4-one
  参考文献：
  名称：

  The interaction of fluorinated 2-arylhydrazono-1,3-dicarbonyl compounds with o-phenylenediamine

  摘要：

  2-Arylhydrazono-3-fluoroaklyl-3-oxo esters react with o-phenylenediarnine under neutral conditions to form mainly o-aminoanilides, from which can be obtained 1,5-benzodiazepin-2-ones. Ethyl-2-(benzimidazol-2-yl)-2-(4-methylphenyl)hydrazonoethanoate was isolated also from the reaction of di(tri)fluoromethyl-containing 2-arylhydrazono-3-oxo esters. The reactions of o-phenylenediamine with 1,2,3-triketone 2-arylhydrazones containing alkyl substituents result in the formation of 1-(benzimidazol-2-yl)-1,2-dioxoalkane arylhydrazones, whereas phenyl substituted analogues afford 2-phenylbenzimidazole. Nickel(II) chelates of N,N'-phenylene-bis(2-arylazo-1,3-aminovinylketones) were obtained from 1,2,3-triketone 2-arylhydrazones and o-phenylenediamine using a template method. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.04.004