6-chloro-1-ethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester | 66176-20-3

• 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: 6-chloro-1-ethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 6-chloro-1-ethyl-4-oxo-quinoline-3-carboxylate；ethyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate
• CAS: 66176-20-3
• 化学式: C₁₄H₁₄ClNO₃
• 分子量: 279.723
• InChiKey: IKKRQORRDJUAJN-UHFFFAOYSA-N

物化性质

• 熔点：
  184-185 °C(Solv: acetonitrile (75-05-8))
• 沸点：
  404.9±45.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-chloro-1-ethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 6-chloro-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carbohydrazide
  参考文献：
  名称：

  Synthesis and study of 1-ethyl-3-carbohydrazide and 3-[1-oxo-2-hydrazino-3-{p-toluenesulfon}]quinolone derivatives against bacterial infections

  摘要：

  We have synthesized newer series of quinolone derivatives substituted with hydrazine group (6a-e) and sulfonamide group (7a-e). These compounds were screened for antibacterial activity. All these compounds were fully characterized by spectroscopic means and elemental analysis. From minimum inhibitory concentration (MIC) data, it has been observed that all the synthesized compounds exhibited good antibacterial activity in vitro. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.06.056
• 作为产物：
  描述：

  2-((4-氯苯基氨基)亚甲基)缩苹果酸二乙基酯 在 diphenyl ether-biphenyl eutectic 、 potassium carbonate 作用下， 反应 2.5h， 生成 6-chloro-1-ethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  An NMR Study of Halogenated 1,4-Dihydro-1-ethyl-4-oxoquinoline-3-carboxylates

  摘要：

  Ethyl 1,4-dihydro-1-ethyl-4-oxoquinoline-3-carboxylate and 29 of its mono-, di- and tri-fluoro and/or -chloro derivatives were synthesized and their H-1, C-13 and F-19 NMR spectra were recorded. H-1,C-13 and F-19 chemical shifts, J(HH), J(FH), J(CF) and J(FF) coupling constants are reported. The C-13 substituent chemical shift values of the chloro and fluoro substituents were calculated by linear multiple regression.

  DOI：

  10.1002/(sici)1097-458x(199611)34:11<972::aid-omr994>3.0.co;2-9

文献信息

• MITSCHER L. A.; GRACEY H. E.; CLARK G. W.; SUZUKI T., J. MED. CHEM., 1978, 21, NO 5, 485-489
  作者：MITSCHER L. A.、 GRACEY H. E.、 CLARK G. W.、 SUZUKI T.

  DOI：——

  日期：——