CAS: 91296-86-5; 6-Fluoro-1-(4-Fluorophenyl)-7-(4-Methylpiperazin-1-yl)-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid Hydrochloride

• 英文名称6-Fluoro-1-(4-Fluorophenyl)-7-(4-Methylpiperazin-1-yl)-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid Hydrochloride
• 中文名称盐酸二氟沙星
• IUPAC名称6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
• 其它别名Difluoxacin Hydrochloride; 3-Quinolinecarboxylic Acid, 6-Fluoro-1-(4-Fluorophenyl)-1,4-Dihydro-7-(4-Methyl-1-Piperazinyl)-4-Oxo-, Hydrochloride (1:1); 3-Quinolinecarboxylic Acid, 6-Fluoro-
• CAS编号91296-86-5
• MFCD编号:MFCD03840489
• EINECS号:688-928-8
• FDA UNII编号:XJ0260HJ0O
• 分子式:C21H20ClF2N3O3
• 分子量:435.86
• 产品CID: 1948332
• 同类组份化合物CAS98106-17-3 (free base)91296-86-5 (HCl)
• 产品分类原料药 → 人工合成抗感染类药 → 喹诺酮类药

• 相似结构搜索
• 产品信息参考;
• InChIKey: JFMGBGLSDVIOHL-UHFFFAOYSA-N
• InChI=1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,…
• 计算化学: 氢键受体数8.0氢键供体数2.0可旋转键数3.0

物理性质

• 熔点>245 °C (分解)
• 沸点595.5 °C at 760 mmHg
• 闪点313.9 °C
• 密度1.409 g/cm3
• PSA:65.78
• LogP:3.5238
• 折射率1.629
• 蒸汽压5.01E-15 mmHg at 25 °C
• 溶解性Soluble In Aqueous Buffer
• 外观形态白色至类白色粉末
• 储存条件惰性气氛,室温
• 产品应用该化合物是一种二甲苯抗生素.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P305+P351+P338
• UN编号NONH for all modes of transport
• 危险品标志T+
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 109-01-3 + 98105-79-4 = 91296-86-5
  反应条件:1.1 Solvents: Dimethyl Sulfoxide1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Difloxacin Hydrochloride
  作者:Guo,Huiyuan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:1992 卷标:23(12) 页码:529-32]
  
  = 91296-86-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water2.1 Solvents: Dimethyl Sulfoxide
  标题:A Novel Synthesis Of Difloxacin Hydrochloride
  作者:Dai,Li Yan; Et Al
  参考文献:Chinese Chemical Letters 日期:2001 卷标:12(10) 页码:875-876]
  
  = 91296-86-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide2.1 Reagents: Sodium Hydroxide Solvents: Water2.2 Reagents: Hydrochloric Acid Solvents: Water3.1 Solvents: Dimethyl Sulfoxide3.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Difloxacin Hydrochloride
  作者:Guo,Huiyuan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:1992 卷标:23(12) 页码:529-32]
  
  = 91296-86-5
  反应条件:1.1 Reagents: Sodium Hydride Solvents: 1,2-Dimethoxyethane2.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water3.1 Solvents: N-Methyl-2-Pyrrolidone
  标题:Synthesis And Structure-Activity Relationships Of Novel Arylfluoroquinolone Antibacterial Agents
  作者:Chu,Daniel T. W.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1985 卷标:28(11) 页码:1558-64]
  
  86483-51-4 = 91296-86-5
  反应条件:1.1 Solvents: Acetic Anhydride,Triethyl Orthoformate1.2 Solvents: Dichloromethane2.1 Reagents: Sodium Hydride Solvents: 1,2-Dimethoxyethane3.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water4.1 Solvents: N-Methyl-2-Pyrrolidone
  标题:Synthesis And Structure-Activity Relationships Of Novel Arylfluoroquinolone Antibacterial Agents
  作者:Chu,Daniel T. W.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1985 卷标:28(11) 页码:1558-64]
  
  = 91296-86-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide2.1 Reagents: Sodium Hydroxide2.2 Reagents: Hydrochloric Acid3.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water4.1 Solvents: Dimethyl Sulfoxide
  标题:A Novel Synthesis Of Difloxacin Hydrochloride
  作者:Dai,Li Yan; Et Al
  参考文献:Chinese Chemical Letters 日期:2001 卷标:12(10) 页码:875-876]
  
  = 91296-86-5
  反应条件:1.1 Solvents: Acetic Anhydride1.2 Solvents: Ethanol2.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide3.1 Reagents: Sodium Hydroxide3.2 Reagents: Hydrochloric Acid4.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water5.1 Solvents: Dimethyl Sulfoxide
  标题:A Novel Synthesis Of Difloxacin Hydrochloride
  作者:Dai,Li Yan; Et Al
  参考文献:Chinese Chemical Letters 日期:2001 卷标:12(10) 页码:875-876]
  
  109-01-3 + 98105-79-4 = 91296-86-5
  反应条件:1.1 Solvents: Dimethyl Sulfoxide
  标题:A Novel Synthesis Of Difloxacin Hydrochloride
  作者:Dai,Li Yan; Et Al
  参考文献:Chinese Chemical Letters 日期:2001 卷标:12(10) 页码:875-876]
  
  = 91296-86-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water1.2 Reagents: Hydrochloric Acid Solvents: Water2.1 Solvents: Dimethyl Sulfoxide2.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Difloxacin Hydrochloride
  作者:Guo,Huiyuan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:1992 卷标:23(12) 页码:529-32]
  
  = 91296-86-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water2.1 Solvents: N-Methyl-2-Pyrrolidone
  标题:Synthesis And Structure-Activity Relationships Of Novel Arylfluoroquinolone Antibacterial Agents
  作者:Chu,Daniel T. W.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1985 卷标:28(11) 页码:1558-64]
  
  = 91296-86-5
  反应条件:1.1 Reagents: Sodium Hydroxide1.2 Reagents: Hydrochloric Acid2.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water3.1 Solvents: Dimethyl Sulfoxide
  标题:A Novel Synthesis Of Difloxacin Hydrochloride
  作者:Dai,Li Yan; Et Al
  参考文献:Chinese Chemical Letters 日期:2001 卷标:12(10) 页码:875-876]
  
  704-10-9 = 91296-86-5
  反应条件:1.1 Reagents: Sodium Hydride1.2 Solvents: Acetic Anhydride1.3 Solvents: Ethanol2.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide3.1 Reagents: Sodium Hydroxide Solvents: Water3.2 Reagents: Hydrochloric Acid Solvents: Water4.1 Solvents: Dimethyl Sulfoxide4.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Difloxacin Hydrochloride
  作者:Guo,Huiyuan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:1992 卷标:23(12) 页码:529-32]
  
  1435-48-9 = 91296-86-5
  反应条件:1.1 Catalysts: Aluminum Chloride2.1 Reagents: Sodium Hydride2.2 Solvents: Acetic Anhydride2.3 Solvents: Ethanol3.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide4.1 Reagents: Sodium Hydroxide Solvents: Water4.2 Reagents: Hydrochloric Acid Solvents: Water5.1 Solvents: Dimethyl Sulfoxide5.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Difloxacin Hydrochloride
  作者:Guo,Huiyuan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:1992 卷标:23(12) 页码:529-32]
  
  704-10-9 = 91296-86-5
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Carbonate2.1 Solvents: Acetic Anhydride,Triethyl Orthoformate2.2 Solvents: Dichloromethane3.1 Reagents: Sodium Hydride Solvents: 1,2-Dimethoxyethane4.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water5.1 Solvents: N-Methyl-2-Pyrrolidone
  标题:Synthesis And Structure-Activity Relationships Of Novel Arylfluoroquinolone Antibacterial Agents
  作者:Chu,Daniel T. W.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1985 卷标:28(11) 页码:1558-64

海关参考信息

• 2905110000-甲醇
  2912110000-甲醛
  2915110000-甲酸
  2921211000-乙二胺
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