CAS: 82419-35-0; 9,10-Difluoro-2,3-Dihydro-3-Methyl-7-Oxo-7H-Pyrido[1,2,3-De]-1,4-Benzoxazine-6-Carboxylic Acid

• 英文名称9,10-Difluoro-2,3-Dihydro-3-Methyl-7-Oxo-7H-Pyrido[1,2,3-De]-1,4-Benzoxazine-6-Carboxylic Acid
• 中文名称氧氟酸
• IUPAC名称9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
• 其它别名9,10-二氟-2,3-二氢-3-甲基-7-氧-7H-吡啶并[1,2,3-De]-1,4-苯并恶嗪-6-甲酸; Ofloxacin Q-Acid
• CAS编号82419-35-0
• MFCD编号:MFCD00226106
• EINECS号:700-160-8
• FDA UNII编号:501W86694Z
• 分子式:C13H9F2NO4
• 分子量:281.21
• 产品CID: 1814924
• 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: NVKWWNNJFKZNJO-YFKPBYRVSA-M
• InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)…
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 熔点320-322°C
• 沸点459.2±45.0 °C at 760 mmHg
• 闪点231.5±28.7 °C
• 密度1.6±0.1 g/cm3
• pKa:4.87±0.40(预测)
• PSA:68.53
• LogP:1.9313
• 折射率1.636
• 蒸汽压0.0±1.2 mmHg at 25°C
• 溶解性DMSO (Slightly, Heated)
• 敏感性遵照规定使用和储存则不会分解。
• 外观形态类白色固体
• 储存条件2-8°C
• 产品应用该化合物用作综合使用氟化锡.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 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-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
• 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 Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 82419-34-9 = 82419-35-0
  反应条件:1.1 Reagents: Sodium Hydride Solvents: 1,4-Dioxane
  标题:Pyridonecarboxylic Acids As Antibacterial Agents. Part 6. A New Synthesis Of 7H-Pyrido[1,2,3-De][1,4]Benzoxazine Derivatives Including An Antibacterial Agent,Ofloxacin
  作者:Egawa,Hiroshi; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1986 卷标:34(10) 页码:4098-102]
  
  = 82419-35-0 [标题:Reaction Conditions
  标题:Synthesis And Antibacterial Activities Of Novel Dihydrooxazine And Dihydrothiazine Ring-Fused Tricyclic Quinolonecarboxylic Acids: 9-Fluoro-3-Methylene-10-(4-Methylpiperazin-1-Yl)-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-De][1,4]Benzoxazine-6-Carboxylic Acid And Its 1-Thia Congener
  作者:Okada,Tetsuo; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:1991 卷标:28(4) 页码:1061-6]
  
  889110-57-0 = 82419-35-0
  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; Et Al
  参考文献:Synthesis 日期:2006 卷标:(6) 页码:963-968]
  
  107359-16-0 = 82419-35-0
  反应条件:1.1 Reagents: Potassium Fluoride Solvents: Dimethylformamide2.1 Reagents: Sodium Hydride Solvents: 1,4-Dioxane
  标题:Pyridonecarboxylic Acids As Antibacterial Agents. Part 6. A New Synthesis Of 7H-Pyrido[1,2,3-De][1,4]Benzoxazine Derivatives Including An Antibacterial Agent,Ofloxacin
  作者:Egawa,Hiroshi; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1986 卷标:34(10) 页码:4098-102]
  
  = 82419-35-0
  反应条件:1.1 Reagents: Potassium Fluoride Solvents: Dimethylformamide2.1 Reagents: Sodium Hydride Solvents: 1,4-Dioxane
  标题:Pyridonecarboxylic Acids As Antibacterial Agents. Part 6. A New Synthesis Of 7H-Pyrido[1,2,3-De][1,4]Benzoxazine Derivatives Including An Antibacterial Agent,Ofloxacin
  作者:Egawa,Hiroshi; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1986 卷标:34(10) 页码:4098-102]
  
  117321-75-2 = 82419-35-0
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 3 H,70 °C2.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Ethanol; 6 H,40 - 45 °C2.2 2 H,140 - 145 °C2.3 Solvents: Acetic Anhydride; 0.5 H,Rt2.4 Reagents: Sulfuric Acid; 1 H,30 - 40 °C; 3 H,30 - 40 °C; 40 °C -> 0 °C2.5 Solvents: Water; < 30 °C; 3 H,< 30 °C -> Reflux
  标题:Modified Route For Synthesis Of Ofloxacin
  作者:Wang,Xundao; Et Al
  参考文献:Zhongguo Kangshengsu Zazhi 日期:2003 卷标:28(6) 页码:341-343]
  
  = 82419-35-0
  反应条件:1.1 Solvents: Dimethylformamide2.1 -
  标题:Synthesis And Antibacterial Activities Of Novel Dihydrooxazine And Dihydrothiazine Ring-Fused Tricyclic Quinolonecarboxylic Acids: 9-Fluoro-3-Methylene-10-(4-Methylpiperazin-1-Yl)-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-De][1,4]Benzoxazine-6-Carboxylic Acid And Its 1-Thia Congener
  作者:Okada,Tetsuo; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:1991 卷标:28(4) 页码:1061-6]
  
  87-13-8 + 82419-32-7 = 82419-35-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Ethanol; 6 H,40 - 45 °C1.2 2 H,140 - 145 °C1.3 Solvents: Acetic Anhydride; 0.5 H,Rt1.4 Reagents: Sulfuric Acid; 1 H,30 - 40 °C; 3 H,30 - 40 °C; 40 °C -> 0 °C1.5 Solvents: Water; < 30 °C; 3 H,< 30 °C -> Reflux
  标题:Modified Route For Synthesis Of Ofloxacin
  作者:Wang,Xundao; Et Al
  参考文献:Zhongguo Kangshengsu Zazhi 日期:2003 卷标:28(6) 页码:341-343]
  
  107359-16-0 = 82419-35-0 [标题:Reaction Conditions
  标题:A Process For Preparation Of 2,3-Dihydro-7-Oxo-7H-Pyrido[1,2,3-De]Benzoxazine-6-Carboxylates And Intermediates Thereof As Drugs And Drug Intermediates
  参考文献:Japan]
  
  = 82419-35-0
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Palladium Chloride Solvents: Dimethyl Sulfoxide
  标题:Process For The Preparation Of A Quinolinecarboxylic Acid Derivative Useful As An Ofloxacin Intermediate
  参考文献:Spain]
  
  87-13-8 + 82419-33-8 = 82419-35-0
  反应条件:1.1 Catalysts: Sodium Ethoxide1.2 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Catalytic Synthesis Of Pyrido[1,2,3-De]-1,4-Benzoxazine Derivatives
  参考文献:China]
  
  87-13-8 + 82419-33-8 = 82419-35-0 [标题:Reaction Conditions
  标题:Pyrido[1,2,3-De][1,4]Benzoxazines
  参考文献:Japan]
  
  87-13-8 + 82419-33-8 = 82419-35-0 [标题:Reaction Conditions
  标题:Anti-Acid-Fast Bacteria Agents
  参考文献:Japan]
  
  40516-46-9 = 82419-35-0
  反应条件:1.1 -2.1 Reagents: Hydrochloric Acid Catalysts: Acetic Acid
  标题:Synthesis And Antibacterial Activities Of Substituted 7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-De][1,4]Benzoxazine-6-Carboxylic Acids
  作者:Hayakawa,Isao; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1984 卷标:32(12) 页码:4907-13]
  
  = 82419-35-0
  反应条件:1.1 Solvents: Dimethylformamide2.1 -
  标题:Synthesis And Antibacterial Activities Of Novel Dihydrooxazine And Dihydrothiazine Ring-Fused Tricyclic Quinolonecarboxylic Acids: 9-Fluoro-3-Methylene-10-(4-Methylpiperazin-1-Yl)-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-De][1,4]Benzoxazine-6-Carboxylic Acid And Its 1-Thia Congener
  作者:Okada,Tetsuo; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:1991 卷标:28(4) 页码:1061-6

海关参考信息

• 2905121000-正丙醇
  2912110000-甲醛
  2915110000-甲酸
  2933310010-吡啶
• 💡 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

专利信息

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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