CAS: 181696-12-8; 4-(5-Methyl-4-Phenylisoxazol-3-yl)Benzenesulfonamide

英文名称4-(5-Methyl-4-Phenylisoxazol-3-yl)Benzenesulfonamide
中文名称帕瑞昔布杂质017
IUPAC名称4-(5-methyl-4-phenylisoxazol-3-yl)benzenesulfonamide
其它别名Parecoxib Impurity 21/4-(5-Methyl-4-Phenylisoxazol-3-yl)Benzenesulfonamide; Parecoxib Sodium-10; 4-(5-Methyl-4-Phenylisoxazol-3-yl)Benzenesulfonamide; Parecoxib Impurity 11; Benzenesulfonamide, 4-(5-Methyl-4-Phenyl-3-Isoxazolyl)-; Parecoxib Impurity 11Q: What Is Parecoxib Impurity 11 Q: What Is The Cas Number Of Parecoxib Impurity 11; Parecoxib Sodium Impurity 11
CAS编号181696-12-8
MFCD编号:MFCD34597472
分子式:C16H14N2O3S分子量:314.37
产品CID: 935454
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: BJYUOXUCQMUZRX-UHFFFAOYSA-N
InChI=1S/C16H14N2O3S/c1-11-15(12-5-3-2-4-6-12)16(18-21-11)13-7-9-14(10-8-13)22(17,19)20/h2-10H,1H3,(H2,17,19,20)
计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数3.0

MSDS等安全信息

上下游产品

4-[5-methyl-4-phenylisoxazol-3-yl]bromobenzene 3-methyl-4-(4-methylthiophenyl)-5-phenylisoxazole 1-(4-bromophenyl)-2-phenyl-ethan-1-one oxime 1-(4-bromophenyl)-2-phenyl-ethan-1-one

合成工艺路线路线简述

合成目标产物 4-(5-Methyl-4-Phenylisoxazol-3-yl)Benzenesulfonamide 主要起始原料 3-(4-Bromo-Phenyl)-5-Methyl-4-Phenyl-Isoxazole
(文献来源)合成步骤主要原料 3-(4-Bromo-Phenyl)-5-Methyl-4-Phenyl-Isoxazole

📜1-(4-Bromophenyl)-2-Phenyl-Ethan-1-One Oxime置于正丁基锂,Lithium Diisopropyl Amide体系中,用四氢呋喃,正己烷,正庚烷,乙基苯用作溶剂,化学反应 17.68H,反应生成帕瑞昔布杂质017
参考文献:Substituted Isoxazoles For The Treatment Of Inflammation
标题:Substituted Isoxazoles For The Treatment Of Inflammation
摘要:描述了一类取代的异氧氮杂环化合物,用于治疗炎症和与炎症相关的疾病.特别感兴趣的化合物由公式(III)定义,其中r7从羟基,低烷基,羧基,卤素,低羧基烷基,低烷氧羰基烷基,低烷氧基烷基,低羧氧基烷氧基,低卤代烷基,低卤代烷基磺酰氧基,低羟基烷基,低芳基(羟基烷基),低羧基芳氧基烷基,低烷氧羰基芳氧基烷基,低环烷基,低环烷基烷基和低芳基烷基中选择;R8是一个或多个基团,独立地从氢化物,低烷基亚砜基,低烷基,氰基,羧基,低烷氧羰基,低卤代烷基,羟基,低羟基烷基,低卤代氧基,氨基,低烷基氨基,低芳基氨基,低氨基烷基,硝基,卤素,低烷氧基,氨基磺酰基和低烷硫基中独立选择;或其药学上可接受的盐.