CAS: 79660-46-1; Ethyl 6,7,8-Trifluoro-4-Oxo-1,4-Dihydroquinoline-3-Carboxylate

• 英文名称Ethyl 6,7,8-Trifluoro-4-Oxo-1,4-Dihydroquinoline-3-Carboxylate
• 中文名称6,7,8-三氟-1,4-二氢-4-氧代-3-喹啉羧酸乙酯
• IUPAC名称ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate
• 其它别名1,4-二氢-4-氧代-6,7,8-三氟-3-喹啉甲酸乙酯; Ethyl1,4-Dihydro-4-Oxo-6,7,8-Trifluoro-3-Quinolinecarboxylate
• CAS编号79660-46-1
• MFCD编号:MFCD00276021
• EINECS号:621-582-8
• 分子式:C12H8F3NO3
• 分子量:271.19
• 产品CID: 1790688
• 产品分类有机原料→分子砌块→芳杂环类化合物→喹啉类化合物

• 相似结构搜索
• InChIKey: ONQDAESGZUODFI-UHFFFAOYSA-N
• InChI=1S/C12H8F3NO3/c1-2-19-12(18)6-4-16-10-5(11(6)17)3-7(13)8(14)9(10)15/h3-4H,2H2,1H3,(H,16,17)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数2.0

相似化合物

物理性质

• 熔点275°C
• 沸点344.3±42.0 °C at 760 mmHg
• 闪点162 °C
• 密度1.451 g/cm3
• pKa:-0.92±0.70(预测)
• PSA:59.16
• LogP:2.1221
• 折射率1.522
• 蒸汽压6.67E-05 mmHg at 25 °C
• 外观形态米色至米色-棕色粉末
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 87-13-8 + 3862-73-5 = 79660-46-1
  反应条件:1.1 4 H,110 °C1.2 Solvents: Diphenyl Ether; 0.5 H,250 - 255 °C1.3 Solvents: Hexane; 15 Min,Rt1.4 Solvents: Hexane; 1 H,Rt
  标题:Preparation Of Alkyl N-(2-Fluoroethyl)-6,8-Difluoro-7-(4-Methyl-1-Piperazinyl)-4-Oxo-3-Quinolinecarboxylate
  参考文献:Poland]
  
  87-13-8 + 3862-73-5 = 79660-46-1
  反应条件:1.1 Solvents: Tetraglyme
  标题:Process For The Preparation Of A Quinolinecarboxylic Acid Derivative Useful As An Ofloxacin Intermediate
  参考文献:Spain]
  
  100501-60-8 = 79660-46-1
  反应条件:1.1 Solvents: Diphenyl Ether; 25 Min,190 °C
  标题:Microwave-Assisted Simple Synthesis Of Substituted 4-Quinolone Derivatives
  作者:Cao,Xin; Et Al
  参考文献:Synthetic Communications 日期:2009 卷标:39(24) 页码:4375-4383]
  
  87-13-8 + 3862-73-5 = 79660-46-1 [标题:Reaction Conditions
  标题:Synthesis And Antibacterial Activity Of 6,8-Difluoroquinolones
  作者:Yao,Hong; Et Al
  参考文献:Zhongguo Yaoke Daxue Xuebao 日期:1993 卷标:24(5) 页码:264-8]
  
  100501-60-8 = 79660-46-1
  反应条件:1.1 Solvents: Diphenyl Ether; 6 H,250 °C
  标题:Thermochemical Reaction Of 7-Azido-1-Ethyl-6,8-Difluoroquinolone-3-Carboxylate With Heterocyclic Amines. An Expeditious Synthesis Of Novel Fluoroquinolone Derivatives
  作者:Leyva,Socorro; Et Al
  参考文献:Tetrahedron 日期:2007 卷标:63(9) 页码:2093-2097]
  
  100501-60-8 = 79660-46-1
  反应条件:1.1 Solvents: Diphenyl Ether; 8 H,250 °C
  标题:Synthesis And Antibacterial Evaluation Of Novel 8-Fluoro Norfloxacin Derivatives As Potential Probes For Methicillin And Vancomycin-Resistant Staphylococcus Aureus
  作者:Sunduru,Naresh; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2011 卷标:46(4) 页码:1232-1244]
  
  100276-66-2 = 79660-46-1
  反应条件:1.1 Reagents: Acetic Acid,Sulfuric Acid
  标题:Synthesis And In Vitro Cytotoxic Evaluation Of New Compounds With Hybrid Structures Of 8-Flavoneacetic Acid And Quinolones
  作者:Brana,M. F.; Et Al
  参考文献:Anales De Quimica 日期:1994 卷标:90(7-8) 页码:491-6]
  
  771-69-7 = 79660-46-1
  反应条件:1.1 Reagents: Iron,Hydrochloric Acid2.1 -
  标题:Synthesis And Antibacterial Activity Of 6,8-Difluoroquinolones
  作者:Yao,Hong; Et Al
  参考文献:Zhongguo Yaoke Daxue Xuebao 日期:1993 卷标:24(5) 页码:264-8]
  
  771-69-7 = 79660-46-1 [标题:Reaction Conditions
  标题:Theoretical Considerations Of The Tsou Plot
  作者:Wang,Zhixin
  参考文献:Journal Of Theoretical Biology 日期:1991 卷标:150(4) 页码:437-50]
  
  = 79660-46-1
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: Dimethyl Sulfoxide
  标题:A Concise,Practical Synthesis Of The Pyrido[3,2,1-I,J]Cinnoline Ring System Of Potent Dna Gyrase Inhibitors
  作者:Barrett,David; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1995 卷标:60(12) 页码:3928-30]
  
  86633-09-2 + 100276-66-2 = 79660-46-1
  反应条件:1.1 Reagents: (+/-)-Propylene Oxide,Titanium Tetrachloride Solvents: Dichloromethane1.2 -2.1 Reagents: Cesium Carbonate Solvents: Dimethyl Sulfoxide
  标题:A Concise,Practical Synthesis Of The Pyrido[3,2,1-I,J]Cinnoline Ring System Of Potent Dna Gyrase Inhibitors
  作者:Barrett,David; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1995 卷标:60(12) 页码:3928-30

海关参考信息

• 2912110000-甲醛
  2915110000-甲酸
  2933310010-吡啶
  2901100000-饱和无环烃
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管