CAS: 80382-23-6; Sodium 2-(4-((2-Oxocyclopentyl)Methyl)Phenyl)Propanoate

• 英文名称Sodium 2-(4-((2-Oxocyclopentyl)Methyl)Phenyl)Propanoate
• 中文名称洛索洛芬(钠)
• IUPAC名称sodium 2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate
• 其它别名洛索洛芬钠
• CAS编号80382-23-6
• MFCD编号:MFCD00941425
• FDA UNII编号:NDC2M7399S
• 分子式:C15H17NaO3
• 分子量:268.29
• 产品CID: 1799130
• 同类组份化合物CAS80382-23-6 (sodium)68767-14-6 (free acid)226721-96-6 (sodium hydrate)
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BAZQYVYVKYOAGO-UHFFFAOYNA-M
• InChI=1S/C15H18O3.Na.H/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);;…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数4.0

物理性质

• 熔点195-202°C
• 沸点417.9 °Cat 760 mmHg
• 闪点220.7 °C
• PSA:43.37
• LogP:2.3285
• 蒸汽压9.92E-08 mmHg at 25 °C
• 溶解性DMSO: Soluble
• 外观形态白色至类白色固体
• 储存条件惰性气氛,室温
• 产品应用消炎镇痛药.

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号2811
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 合成目标产物 Loxoprofen Sodium 主要起始原料 Loxoprofen Impurity 11
• 111128-12-2 = 80382-23-6
  反应条件:1.1 Catalysts: Sulfuric Acid; 4 H,Reflux; Reflux -> Rt1.2 Reagents: Sodium Bicarbonate; Ph 72.1 Reagents: Potassium Carbonate Solvents: Toluene; 1 H2.2 10 H,Reflux; Reflux -> Rt2.3 Reagents: Water3.1 Reagents: Hydrogen Bromide Solvents: Acetic Acid,Water; 6 H,Reflux3.2 Reagents: Hydrochloric Acid Solvents: Toluene,Water; Ph 2,10 °C4.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; < 30 °C; 5 H,30 °C -> 0 °C
  标题:Synthesis Of Loxoprofen Sodium
  作者:Wu,Ronggui; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2015 卷标:46(8) 页码:806-808]
  
  75-77-4 + 120-92-3 = 80382-23-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; Rt; Rt -> 90 °C; 16 H,90 °C2.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; Rt -> 60 °C; 6 H,60 °C3.1 Reagents: Sodium Hydroxide Solvents: Water; 2 H,50 °C; 50 °C -> Rt3.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Rt
  标题:Synthesis Of Loxoprofen Sodium
  作者:Feng,Jiao; Et Al
  参考文献:Huaxue Shiji 日期:2016 卷标:38(1) 页码:88-90]
  
  99807-54-2 + 611-10-9 = 80382-23-6
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Toluene; Reflux; 12 H,Reflux; Reflux -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3 - 4,Rt2.1 Reagents: Hydrogen Bromide Solvents: Acetic Acid,Water; 8 H,Reflux3.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; Ph 7 - 8,Rt; 3 H,Rt
  标题:New Synthetic Method Of Loxoprofen Sodium
  作者:Zhang,Xingxian; Et Al
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2010 卷标:20(1) 页码:25-28]
  
  81762-92-7 = 80382-23-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 2 H,50 °C; 50 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Rt
  标题:Synthesis Of Loxoprofen Sodium
  作者:Feng,Jiao; Et Al
  参考文献:Huaxue Shiji 日期:2016 卷标:38(1) 页码:88-90]
  
  68767-14-6 = 80382-23-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; < 30 °C; 5 H,30 °C -> 0 °C
  标题:Synthesis Of Loxoprofen Sodium
  作者:Wu,Ronggui; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2015 卷标:46(8) 页码:806-808]
  
  1152440-23-7 = 80382-23-6
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Acetic Acid,Water; 6 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Toluene,Water; Ph 2,10 °C2.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; < 30 °C; 5 H,30 °C -> 0 °C
  标题:Synthesis Of Loxoprofen Sodium
  作者:Wu,Ronggui; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2015 卷标:46(8) 页码:806-808]
  
  1152440-23-7 = 80382-23-6
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Acetic Acid,Water; 8 H,Reflux2.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; Ph 7 - 8,Rt; 3 H,Rt
  标题:New Synthetic Method Of Loxoprofen Sodium
  作者:Zhang,Xingxian; Et Al
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2010 卷标:20(1) 页码:25-28]
  
  99807-54-2 + 19980-43-9 = 80382-23-6
  反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; Rt -> 60 °C; 6 H,60 °C2.1 Reagents: Sodium Hydroxide Solvents: Water; 2 H,50 °C; 50 °C -> Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Rt
  标题:Synthesis Of Loxoprofen Sodium
  作者:Feng,Jiao; Et Al
  参考文献:Huaxue Shiji 日期:2016 卷标:38(1) 页码:88-90]
  
  111128-12-2 = 80382-23-6
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Water; 0 - 5 °C; 6 H,0 - 5 °C2.1 Reagents: Potassium Carbonate Solvents: Toluene; Reflux; 12 H,Reflux; Reflux -> Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3 - 4,Rt3.1 Reagents: Hydrogen Bromide Solvents: Acetic Acid,Water; 8 H,Reflux4.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; Ph 7 - 8,Rt; 3 H,Rt
  标题:New Synthetic Method Of Loxoprofen Sodium
  作者:Zhang,Xingxian; Et Al
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2010 卷标:20(1) 页码:25-28]
  
  99807-54-2 + 611-10-9 = 80382-23-6
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Toluene; 1 H1.2 10 H,Reflux; Reflux -> Rt1.3 Reagents: Water2.1 Reagents: Hydrogen Bromide Solvents: Acetic Acid,Water; 6 H,Reflux2.2 Reagents: Hydrochloric Acid Solvents: Toluene,Water; Ph 2,10 °C3.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; < 30 °C; 5 H,30 °C -> 0 °C
  标题:Synthesis Of Loxoprofen Sodium
  作者:Wu,Ronggui; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2015 卷标:46(8) 页码:806-808

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2905121000-正丙醇
  2912110000-甲醛
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