CAS: 90098-06-9; 2-(2-Chlorobenzamido)-3-(2-Oxo-1,2-Dihydroquinolin-4-yl)Propanoic Acid

• 英文名称2-(2-Chlorobenzamido)-3-(2-Oxo-1,2-Dihydroquinolin-4-yl)Propanoic Acid
• 中文名称瑞巴匹特2-氯杂质
• IUPAC名称2-(2-chlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid
• 其它别名α-[(2-Chlorobenzoyl)Amino]-1,2-Dihydro-2-Oxo-4-Quinolinepropanoic Acid; 2-(2-Chlorobenzamido)-3-(2-Oxo-1,2-Dihydroquinolin-4-yl)Propanoic Acid; Rebamipide Impurity B; Rebamipide Impurity 1/rebamipide 2-Chloro Impurity/4-Deschloro-2-Chlorobenzoyl Rebapimide/2-(2-Chlorobenzamido)-3-(2-Oxo-1,2-Dihydroquinolin-4-yl)Propanoic Acid; 4-Quinolinepropanoic Acid, α-[(2-Chlorobenzoyl)Amino]-1,2-Dihydro-2-Oxo-; Rebamipide 2-Chloro Impurity; Rebapart Ortho Chloroisomer
• CAS编号90098-06-9
• MFCD编号:MFCD30748223
• 分子式:C19H15ClN2O4
• 分子量:370.79
• 产品CID: 1932548
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: CICRNAAVEZYNSB-UHFFFAOYSA-N
• InChI=1S/C19H15ClN2O4/c20-14-7-3-1-6-13(14)18(24)22-16(19(25)26)9-11-10-17(23)21-15-8-4-2-5-12(11)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25…
• 计算化学: 氢键受体数4.0氢键供体数3.0可旋转键数5.0

物理性质

• 熔点270.5-271.50 °C
• 沸点683.4±55.0 °C(预测)
• 密度1.394±0.06 g/cm3(预测)
• pKa:3.60±0.10(预测)
• PSA:99.26
• LogP:2.9981
• 溶解性DMSO (Slightly), Methanol (Slightly, Heated)
• 外观形态白色至类白色固体
• 储存条件2-8°C

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338-
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 618-46-2 + 132210-25-4 = 90098-06-9 + 90098-38-7 + 90098-05-8 + 90098-04-7 + 1126-46-1 + 74-11-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 30 °C -> 10 °C1.2 Solvents: Acetone; 0 - 10 °C; 30 Min,0 - 10 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; 30 Min,Ph 1 - 3,20 - 30 °C1.4 Solvents: Dimethyl Sulfoxide,Water
  标题:Magic Bullet! Rebamipide,A Superior Anti-Ulcer And Ophthalmic Drug And Its Large-Scale Synthesis In A Single Organic Solvent Via Process Intensification Using Krapcho Decarboxylation
  作者:Babu,Prashanth Kumar; Bodireddy,Mohan Reddy; Puttaraju,Reshma Choudlu; Vagare,Dnyaneshwar; Nimmakayala,Raghu; Et Al
  参考文献:Organic Process Research & Development 日期:2018 卷标:22(7) 页码:773-779]
  
  4876-14-6 = 90098-06-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Ethanol,Acetone
  标题:Studies On 2(1H)-Quinolinone Derivatives As Gastric Antiulcer Active Agents. 2-(4-Chlorobenzoylamino)-3-[2(1H)-Quinolinon-4-Yl]Propionic Acid And Related Compounds
  作者:Uchida,Minoru; Tabusa,Fujio; Komatsu,Makoto; Morita,Seiji; Kanbe,Toshimi; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1985 卷标:33(9) 页码:3775-86

海关参考信息

• 2903919090-氯苯
  2905121000-正丙醇
  2912110000-甲醛
  2912120000-乙醛
• 💡 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

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• ➥ 防范代码详解
• ➥ 危险代码说明
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