CAS: 93107-30-3; 1-Cyclopropyl-6,7-Difluoro-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid

• 英文名称1-Cyclopropyl-6,7-Difluoro-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid
• 中文名称1-环丙基-6,7-二氟-1,4-二氢-4-氧代-3-喹啉甲酸
• IUPAC名称1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 其它别名1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-甲酸; 1-Cyclopropyl-6,7-Difluoro-1,4-Dihydro-4-Oxoquinoline-3-Carboxylic Acid
• CAS编号93107-30-3
• MFCD编号:MFCD01646375
• EINECS号:413-760-7
• 分子式:C13H9F2NO3
• 分子量:265.21
• 产品CID: 1969774
• 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
• 产品信息参考;
• InChIKey: KNEXGVPHPGXAGF-UHFFFAOYSA-N
• InChI=1S/C13H9F2NO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/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289 °C
• 沸点434.2°C at 760 mmHg
• 闪点216.4±28.7 °C
• 密度1.6±0.1 g/cm3
• pKa:6.36±0.41(预测)
• PSA:59.3
• LogP:2.3128
• 折射率1.655
• 蒸汽压0.0±1.1 mmHg at 25°C
• 溶解性DMSO
• 外观形态类白色固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于合成手性氨基基基丙烯基丙酮,作为抗抗病原的有效抗菌剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别生殖毒性 类别2
  水生慢性毒性 类别3
  急性毒性 类别4(经口)
  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
• 警示词Warning(警告)
• 危险描述H361 |怀疑对生育能力或胎儿造成损害.
  H412 |对水生生物有害并具有长期持续影响.
  H302 |吞咽有害.
  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P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xn
• 安全声明22-36/37-61
• 危险类别码62-52/53

欧盟法规

上下游产品

合成工艺路线路线简述

• 422280-23-7 = 93107-30-3
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Acetic Acid; 11 H,130 °C
  标题:Anti-Infective Agents And Drug Efflux Pump Inhibitors Containing Heteroaromatic Compounds And
  参考文献:Japan]
  
  98349-25-8 = 93107-30-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 4 H,Reflux
  标题:N-Formyl Hydroxylamine Compound Used As Peptide Deformylase Inhibitor
  参考文献:Korea]
  
  98349-25-8 = 93107-30-3
  反应条件:1.1 Reagents: Acetic Acid,Hydrochloric Acid Solvents: Water; 2.5 H,Reflux
  标题:Preparation Of Fluoroquinolone Compounds As Antibiotic Resistance Breakers
  参考文献:World Intellectual Property Organization]
  
  475061-03-1 = 93107-30-3
  反应条件:1.1 Reagents: Sodium Hydroxide,Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: 1,4-Dioxane,Water; 7 H,Rt
  标题:Preparation Of Quinolones And Their Intermediates
  参考文献:China]
  
  101799-76-2 = 93107-30-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Preparation Of Macrolides And Erythromycin Derivatives Anti-Infective Phosphonate Analogs
  参考文献:United States]
  
  98349-25-8 = 93107-30-3 [标题:Reaction Conditions
  标题:Process For Preparing 2-Chloro-4,5-Difluorobenzoic Acid,An Intermediate For Antibacterial Quinolinecarboxylic Acid Derivatives
  参考文献:United States]
  
  98349-25-8 = 93107-30-3
  反应条件:1.1 Reagents: Acetic Acid Catalysts: Sulfuric Acid Solvents: Water1.2 Reagents: Sodium Acetate Solvents: Water
  标题:Hydrolytic Process For The Preparation Of Fluoroquinolonecarboxylic Acids From Their Corresponding C1-4 Alkyl Esters Using Reduced Amounts Of Sulfuric Acid
  参考文献:United States]
  
  1759-53-1 = 93107-30-3
  反应条件:1.1 Reagents: Potassium Fluoride Catalysts: Tetradecyltrimethylammonium Chloride; Rt -> 170 °C; 9 H,170 °C
  标题:Method For Synthesizing 1-Cyclopropyl-6,7-Difluoro-1,4-Dihydro-4-Oxo-3-Quinolinecarboxylic Acid Using Phase Transfer Catalyst
  参考文献:China]
  
  98349-25-8 = 93107-30-3
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Acetic Acid,Water; Rt -> Reflux
  标题:Study On Synthesis Of 1-Cyclopropyl-6,7-Difluroro-1,4-Dihydro-4-Oxo-3-Quinolone Carboxylic Acid
  作者:Chen,Zai-Xin; Xia,Zheng-Jun; Jiang,Long; Lin,Song; Wang,Bin; Et Al
  参考文献:Jingxi Yu Zhuanyong Huaxuepin 日期:2012 卷标:20(6) 页码:39-42]
  
  98349-25-8 = 93107-30-3
  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; Kataoka,Masahiro; Shibamori,Kohichiro; Miyamoto,Teruyuki; Nakano,Junji; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:1987 卷标:24(1) 页码:181-5]
  
  104600-31-9 = 93107-30-3
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Dimethyl Sulfoxide; Rt -> 120 °C
  标题:Process For The Preparation Of Fluoroquinolones Via Streamlined Synthesis
  参考文献:World Intellectual Property Organization]
  
  98349-25-8 = 93107-30-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Synthesis Of Clinafloxacin
  作者:Huang,Shan; Li,Ze
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2000 卷标:31(8) 页码:338-340]
  
  98349-25-8 = 93107-30-3
  反应条件:1.1 Reagents: Acetic Acid,Hydrochloric Acid Solvents: Water; 2.5 H,Reflux
  标题:N1-Benzofused Modification Of Fluoroquinolones Reduces Activity Against Gram-Negative Bacteria
  作者:Laws,Mark; Hind,Charlotte; Favaron,Andrea; Jamshidi,Shirin; Evans,Bonnie; Et Al
  参考文献:Chemrxiv 日期:2019 卷标:1 页码:1-38]
  
  127371-54-4 = 93107-30-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 8 H,Reflux
  标题:Baylis-Hillman Route To Several Quinolone Antibiotic Intermediates
  作者:Hong,Wan Pyo; Lee,Kee-Jung
  参考文献:Synthesis 日期:2006 卷标:(6) 页码:963-968]
  
  127371-54-4 = 93107-30-3
  反应条件:1.1 Reagents: Acetic Acid,Hydrochloric Acid Solvents: Water; 2 H,80 °C1.2 Reagents: Water; Cooled
  标题:Improved Synthesis Of Ciprofloxacin
  作者:Li,Zhuang; Liu,Mangen
  参考文献:Youjifu Gongye 日期:2008 卷标:(2) 页码:11-12]
  
  105404-65-7 = 93107-30-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Process For The Preparation Of 1-Cyclopropyl-6-Fluoro-1,4-Dihydro-4-Oxoquinolinecarboxylic Acids In A Cascade Microreactor
  参考文献:European Patent Organization]
  
  98349-25-8 = 93107-30-3
  反应条件:1.1 Catalysts: Proteinase,Trypsin,Monoacylglycerol Lipase Solvents: 1,4-Dioxane,Water; 20 H,40 °C
  标题:Method For Preparing Quinolone Carboxylic Acid Intermediate Through Compound Enzyme Catalytic Hydrolysis
  参考文献:China]
  
  98349-25-8 = 93107-30-3
  反应条件:1.1 Catalysts: Hydrochloric Acid Solvents: Acetic Acid,Water; 3 H,Reflux
  标题:Preparation Of Clinifloxacin Key Intermediate
  参考文献:China]
  
  98349-24-7 + 4637-24-5 + 765-30-0 = 93107-30-3
  反应条件:1.1 Solvents: Toluene; 25 - 35 °C; 35 °C -> 95 °C; 2 H,95 °C; 95 °C -> 35 °C1.2 4 H,25 °C1.3 Reagents: Sodium Hydroxide Catalysts: Tetrabutylammonium Bromide Solvents: Water; 3 H,35 - 45 °C; 45 °C -> 25 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; 25 °C -> 100 °C; 10 H,100 °C; 100 °C -> 25 °C; 2 H,25 °C
  标题:Improved Process For The Preparation Of Besifloxacin Hydrochloride And Intermediates Thereof
  参考文献:India]
  
  98349-25-8 = 93107-30-3 [标题:Reaction Conditions
  标题:Preparation Of 7-(Substituted)Piperazinyl-1-Ethyl-6-Fluoro-1,4-Dihydro-4-Oxo-3-Quinolinecarboxylic Acids As Antibacterial Agents
  参考文献:United States

海关参考信息

• 2905110000-甲醇
  2912110000-甲醛
  2915110000-甲酸
  2933310010-吡啶
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• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 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