CAS: 86393-33-1; 7-Chloro-1-Cyclopropyl-6-Fluoro-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid

• 英文名称7-Chloro-1-Cyclopropyl-6-Fluoro-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid
• 中文名称7-氯-1-环丙基-6-氟-4-氧代-1,4-二氢喹啉-3-羧酸
• IUPAC名称7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 其它别名Fluoroquinolonic Acid [usp Impurity]; 7-Chloro-1-Cyclopropyl-6-Fluoro-3-Carboxy-1,4-Dihydro-4-Oxoquinoline; Ciprofloxacin Impurity A [ep Impurity]; Fluoroquinolonic Acid, Pharmaceutical Secondar
• CAS编号86393-33-1
• MFCD编号:MFCD00792458
• EINECS号:405-050-0
• FDA UNII编号:95HKY59ZG6
• 分子式:C13H9ClFNO3
• 分子量:281.67
• 产品CID: 1865370
• 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: ISPVACVJFUIDPD-UHFFFAOYSA-N
• InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)…
• 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242-245°C
• 沸点467.3±45.0 °C at 760 mmHg
• 闪点236.4±28.7 °C
• 密度1.7±0.1 g/cm3
• pKa:6.36±0.41(预测)
• PSA:59.3
• LogP:2.8271
• 折射率1.683
• 蒸汽压0.0±1.2 mmHg at 25°C
• 溶解性Chloroform (Slightly), Ethyl Acetate (Slightly)
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态类白色至淡黄色固体
• 储存条件密封, 常温干燥保存
• 产品应用新型喹啉类抗菌药物环丙沙星的中间体.
• 性质描述类白色粉末或浅黄色结晶性粉末.熔点242-245°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  水生慢性毒性 类别3
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H412 |对水生生物有害并具有长期持续影响.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P264-P270-P273-P330-P501
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xn,Xi
• 安全声明26-36-61-22
• 危险类别码22-36/37/38-52/53
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 7-Chloro-1-Cyclopropyl-6-Fluoro-1,4-Dihydro-4-Oxoquinoline-3-Carboxylic Acid 主要起始原料 2-Propenoic Acid, 2-(Dimethylamino)-, Ethyl Ester And 2,4-Dichloro-5-Fluorobenzoyl Chloride And Cyclopropylamine
• 104599-90-8 = 86393-33-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 3 H,80 - 90 °C; 90 °C -> Rt1.2 Reagents: Acetic Acid; Ph 7
  标题:Synthesis Of Amide Derivatives Of Quinolone And Their Antimicrobial Studies
  作者:Patel,N. B.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2007 卷标:(1) 页码:126-134]
  
  = 86393-33-1
  反应条件:1.1 Reagents: Nitric Acid Solvents: Water
  标题:Process For Preparation Of Quinolinecarboxylic Acids
  参考文献:Spain]
  
  1001-26-9 + 86393-34-2 + 765-30-0 = 86393-33-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Toluene; 2 H,30 °C; 30 °C -> 55 °C; 5 H,55 °C1.2 0.5 H,5 - 10 °C; 3 H,5 - 10 °C1.3 Reagents: Potassium Fluoride Solvents: Dimethylformamide; 4 H,145 - 150 °C1.4 Reagents: Sodium Hydroxide Solvents: Water; 2 H,45 - 50 °C
  标题:New Synthetic Process Of Cycloprophyl Carboxylic Acid
  作者:Lu,Wei; Et Al
  参考文献:Guangzhou Huagong 日期:2013 卷标:41(15) 页码:101-102]
  
  36239-09-5 = 86393-33-1
  反应条件:1.1 Reagents: Phosphorus Oxychloride1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:New Process For Preparation Of 1-Cyclopropyl-6-Fluoro-1,4-Dihydro-4-Oxo-7-(1-Piperazinyl)-3-Quinolinecarboxylic Acid [ciprofloxacin]
  参考文献:Spain]
  
  105392-26-5 = 86393-33-1
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 3 H,95 - 110 °C1.2 Reagents: Acetic Acid; Ph 72.1 Reagents: Sodium Hydroxide Solvents: Water; 3 H,80 - 90 °C; 90 °C -> Rt2.2 Reagents: Acetic Acid; Ph 7
  标题:Synthesis Of Amide Derivatives Of Quinolone And Their Antimicrobial Studies
  作者:Patel,N. B.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2007 卷标:(1) 页码:126-134]
  
  87-13-8 + 367-21-5 + 4333-56-6 = 86393-33-1
  反应条件:1.1 3 H,120 - 130 °C1.2 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 1 H,100 - 110 °C; 4 H,100 - 110 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 6
  标题:Synthesis And Antibacterial Activities Of Novel Phosphonate Derivatives Containing Quinolinone Moiety
  作者:Yang,Jiaqiang; Et Al
  参考文献:Youji Huaxue 日期:2014 卷标:34(4) 页码:829-834]
  
  75073-15-3 + 98021-77-3 = 86393-33-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol1.2 Reagents: Potassium Carbonate Solvents: Dimethylformamide1.3 Reagents: Sodium Hydroxide Solvents: Water1.4 Reagents: Hydrochloric Acid Solvents: Water
  标题:Process For N-Cyclopropylation Of Aromatic Amines,Particularly Quinolones And Naphthyridines.
  参考文献:World Intellectual Property Organization]
  
  86483-52-5 + 765-30-0 = 86393-33-1
  反应条件:1.1 -2.1 Reagents: Sodium Hydride
  标题:Microbicidal Composition Based On Quinolonecarboxylic Acid
  参考文献:Federal Republic Of Germany]
  
  = 86393-33-1 [标题:Reaction Conditions
  标题:Procedure For Preparing Halogenated Quinolonecarboxylic Acids
  参考文献:Federal Republic Of Germany]
  
  86483-54-7 = 86393-33-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol,Water
  标题:Pyridonecarboxylic Acid Antibacterial Agents. Part 7. A New Synthetic Route To 7-Halo-1-Cyclopropyl-6-Fluoro-1,4-Dihydro-4-Oxoquinoline-3-Carboxylic Acid,An Intermediate For The Synthesis Of Quinolone Antibacterial Agents
  作者:Egawa,Hiroshi; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:1987 卷标:24(1) 页码:181-5]
  
  86483-54-7 = 86393-33-1
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Water; 10 Min
  标题:An Expeditious Synthesis Of Quinolone Antibacterials
  作者:Heravi,Majid M.; Et Al
  参考文献:Heterocyclic Communications 日期:2005 卷标:11(5) 页码:423-426]
  
  86483-54-7 = 86393-33-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water
  标题:An Operational Transformation Of 3-Carboxy-4-Quinolones Into 3-Nitro-4-Quinolones Via Ipso-Nitration Using Polysaccharide Supported Copper Nanoparticles: Synthesis Of 3-Tetrazolyl Bioisosteres Of 3-Carboxy-4-Quinolones As Antibacterial Agents
  作者:Azad,Chandra S.; Et Al
  参考文献:Rsc Advances 日期:2016 卷标:6(23) 页码:19052-19059]
  
  = 86393-33-1
  反应条件:1.1 Reagents: Sodium Hydride Solvents: 1,4-Dioxane1.2 Reagents: Potassium Hydroxide Solvents: Water1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Ciprofloxacin
  作者:Dai,Guiyuan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:1992 卷标:23(4) 页码:153-4]
  
  = 86393-33-1 [标题:Reaction Conditions
  标题:Quinolonecarboxylic Acid Derivatives And Their Use As Bactericidal Agents
  参考文献:Federal Republic Of Germany]
  
  104599-90-8 = 86393-33-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 2 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1; Cooled
  标题:Process Improvement On Synthesis Of Ciprofloxacin
  作者:Hu,Ai-Xi; Et Al
  参考文献:Hecheng Huaxue 日期:2006 卷标:14(6) 页码:640-642]
  
  372096-76-9 = 86393-33-1
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:New Synthetic Method Of Ciprofloxacin
  作者:Chen,Yingqi; Et Al
  参考文献:Chinese Journal Of Chemical Engineering 日期:2001 卷标:9(3) 页码:310-313]
  
  104600-30-8 = 86393-33-1
  反应条件:1.1 Reagents: Sodium Hydride,Water Solvents: 1,4-Dioxane1.2 Reagents: Sodium Hydroxide
  标题:Synthesis Of Heterocyclic Annellated Pyridone Carboxylic Acid Derivatives As Potential Chemotherapeutic Agents
  作者:Rudolf,Manfred
  参考文献:1985]
  
  88569-32-8 + 19451-11-7 = 86393-33-1
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 5 - 8 H,120 - 140 °C
  标题:Synthesis,Molecular Bioinformatics Modelling,And Antimicrobial Evaluation Of Some Novel Oxadiazole Fluoroquinolone Derivatives
  作者:Khan,Nawaz Mohammed; Et Al
  参考文献:Asian Journal Of Pharmaceutical And Clinical Research 日期:2022 卷标:15(1) 页码:40-46]
  
  103318-78-1 = 86393-33-1 [标题:Reaction Conditions
  标题:Procedure For Preparing Halogenated Quinolonecarboxylic Acids
  参考文献:Federal Republic Of Germany]
  
  105392-26-5 = 86393-33-1
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Dimethylformamide; Rt -> 140 °C; 2 H,140 °C2.1 Reagents: Sodium Hydroxide Solvents: Water; 2 H,Reflux2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1; Cooled
  标题:Process Improvement On Synthesis Of Ciprofloxacin
  作者:Hu,Ai-Xi; Et Al
  参考文献:Hecheng Huaxue 日期:2006 卷标:14(6) 页码:640-642]
  
  86483-52-5 + 765-30-0 = 86393-33-1 [标题:Reaction Conditions
  标题:Quinolonecarboxylic Acid Derivatives And Their Use As Bactericidal Agents
  参考文献:Federal Republic Of Germany]
  
  104600-30-8 + 104599-78-2 = 86393-33-1
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide2.1 Reagents: Sulfuric Acid Solvents: Acetic Acid,Water
  标题:Cycloaracylation Of Enamines. I. Synthesis Of 4-Quinolone-3-Carboxylic Acids
  作者:Grohe,Klaus; Et Al
  参考文献:Liebigs Annalen Der Chemie 日期:1987 卷标:(1) 页码:29-37

海关参考信息

• 2903919090-氯苯
  2905110000-甲醇
  2912110000-甲醛
  2915110000-甲酸
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