CAS: 948293-46-7; 5-(P-Tolyl)-3-(Trifluoromethyl)-1H-Pyrazole

该化合物是一种选择性的COX-2抑制剂,是合成蛋白氧化物的关键中间体,该化合物因其在蛋白氧化物代谢途径中的作用,对药物研发特别感兴趣,其结构改变,包括消除苯乙烷磺酰胺混合物,使其对研究药物代谢和优化药用动力特性很有价值.该中间体用于分析参考标准和杂质分析,以确保基于蛋白氧化物的配方的质量和安全,其明确界定的化学特性有利于对合成过程进行精确控制,支持抗炎药物开发的进展.

英文名称5-(P-Tolyl)-3-(Trifluoromethyl)-1H-Pyrazole
中文名称3-(对甲苯基)-5-(三氟甲基)-1H-吡唑(塞来昔布杂质 11)
IUPAC名称5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazole
其它别名4-[1-[4-(Aminosulfonyl)Phenyl]-3-(Trifluoromethyl)-1H-Pyrazol-5-Yl]Benzoic Acid; 5-(P-Methylphenyl)-3-(Trifluoromethyl)-1H-Pyrazole; Celecoxib Impurity H; Celecoxib Impurity 4; Celecoxib Impurity Q: Dephenylsulfonyl Impurity; 3-P-Tolyl-5-(Trifluormethyl)-1H-Pyrazole; 1H-Pyrazole, 5-(4-Methylphenyl)-3-(Trifluoromethyl)-; Celecoxib N-Des(Benzenesulfonamide)
CAS编号948293-46-7
MFCD编号:MFCD07779618
分子式:C11H9F3N2分子量:226.2
产品CID: 2000818
产品分类有机原料→分子砌块→芳杂环类化合物→吡唑类化合物

相似结构搜索
InChIKey: NQEFIPVOJGJVRG-UHFFFAOYSA-N
InChI=1S/C11H9F3N2/c1-7-2-4-8(5-3-7)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
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

219986-64-8 1037420-88-4 4027-54-7

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302
防范说明P264-P270-P330-P501
安全声明H303+H313+H333

上下游产品

p-tolyl-5-trifluoromethyl-4,5-dihydro-pyrazole-1-carbothioic acid amide5-hydroxy-3-p-tolyl-5-trifluoromethyl-4,5-dihydro-pyrazole-1-carbothioic acid amide 3-cyano-6-(4-tolyl)-4-trifluoromethyl-2(1H)-pyridone 4-methyl-benzoyl chloride 1,1,1-trifluoro-4-methoxy-4-(4-methylphenyl)-3-buten-2-one

合成工艺路线路线简述

1514-82-5 + 104-87-0 = 948293-46-7
反应条件:1.1 Reagents: Tosylhydrazine,1,8-Diazabicyclo[5.4.0]Undec-7-Ene Solvents: Toluene; 6 H,60 °C
标题:3-Trifluoromethyl Substituted Pyrazole Derivative And Synthesis Method And Application Thereof In Pesticides Or Medical Materials
参考文献:China]

720-94-5 = 948293-46-7
反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Solvents: Acetic Acid; 4 H,Rt -> 80 °C
标题:Preparation Of Benzohydroxamic Acid Compounds With Anti-Tumor Activity
参考文献:China]

766-97-2 + 753-90-2 = 948293-46-7
反应条件:1.1 Reagents: Tert-Butyl Nitrite Catalysts: Acetic Acid Solvents: Dichloromethane; 60 °C; 5 Min,60 °C1.2 Solvents: Dimethylformamide; 28 Min,325 Psi,132 °C
标题:A Unified Continuous Flow Assembly-Line Synthesis Of Highly Substituted Pyrazoles And Pyrazolines
作者:Britton,Joshua; Jamison,Timothy F.
参考文献:Angewandte Chemie 日期:2017 卷标:56(30) 页码:8823-8827]

720-94-5 = 948293-46-7
反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Solvents: Methanol; 14 H,Reflux
标题:Celecoxib And The Preparation Method Thereof
参考文献:China]

766-97-2 + 2412465-75-7 = 948293-46-7
反应条件:1.1 Reagents: Potassium Hydroxide Solvents: 1,4-Dioxane; 10 H,100 °C
标题:Method For Synthesis Of Novel 3-(Trifluoromethyl)-1H-Pyrazole Compound By Reaction Of Alkyne And N'-(2,2,2-Trifluoroethylidene)Benzenesulfonohydrazide
参考文献:China]

122-00-9 = 948293-46-7
反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol,Tert-Butyl Methyl Ether; Rt -> 60 °C; 1.5 H,50 - 60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 31.3 Reagents: Hydrazine Hydrate (1:1) Solvents: Methanol; 1 H,60 - 70 °C; 70 °C -> 50 °C; 30 Min,50 °C; 50 °C -> 5 °C; 2 H,0 - 5 °C
标题:Method For Preparing Impurities Of Celecoxib
参考文献:China]

720-94-5 = 948293-46-7
反应条件:1.1 Reagents: Sodium Methoxide,Ethyl Trifluoroacetate,Hydrazine Hydrate (1:1) Solvents: Methanol; 5 H,Rt -> Reflux; Reflux -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
标题:Synthesis Of The Related Compounds Of Celecoxib
作者:Huang,Ping; Wang,Sheng-Peng; Gao,Hu; Wu,Song; Tong,Yuan-Feng
参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2012 卷标:22(6) 页码:503-506]

720-94-5 = 948293-46-7
反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Solvents: Acetic Acid; 4 H,Rt -> 80 °C
标题:Design,Synthesis And Biological Evaluation Of Novel Hydroxamic Acid Based Histone Deacetylase 6 Selective Inhibitors Bearing Phenylpyrazol Scaffold As Surface Recognition Motif
作者:Yang,Jinyu; Cheng,Gaoliang; Xu,Qihao; Luan,Shenglin; Wang,Shuxiang; Et Al
参考文献:Bioorganic & Medicinal Chemistry 日期:2018 卷标:26(8) 页码:1418-1425