CAS: 859282-11-4; 4-((4-Methylpiperazin-1-yl)Methyl)-3-(Trifluoromethyl)Benzoic Acid

英文名称4-((4-Methylpiperazin-1-yl)Methyl)-3-(Trifluoromethyl)Benzoic Acid
中文名称4-((4-甲基哌嗪-1-基)甲基)-3-(三氟甲基)苯甲酸
IUPAC名称4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzoic acid
其它别名4-[(4-甲基哌嗪)甲基]-3-(三氟甲基)苯甲酸; Benzoic Acid, 4-[(4-Methyl-1-Piperazinyl)Methyl]-3-(Trifluoromethyl)-
CAS编号859282-11-4
MFCD编号:MFCD22690979
FDA UNII编号:8Z0HZM0V8C
分子式:C14H17F3N2O2分子量:302.3
产品CID: 1858818
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
InChIKey: ZCQQMOIFWQOICM-UHFFFAOYSA-N
InChI=1S/C14H17F3N2O2/c1-18-4-6-19(7-5-18)9-11-3-2-10(13(20)21)8-12(11)14(15,16)17/h2-3,8H,4-7,9H2,1H3,(H,20,21)
计算化学: 氢键受体数3.0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-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-benzoic acid ethyl ester 4-methyl-3-(trifluoromethyl)benzoic acid 4-methyl-3-trifluoromethyl-benzoic acid ethyl ester 4-bromomethyl-3-trifluoromethyl-benzoic acid ethyl ester

合成工艺路线路线简述

109-01-3 + 863248-28-6 = 859282-11-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 2 H,Rt1.2 Reagents: Lithium Hydroxide Solvents: Methanol,Water; 6 H,Reflux
标题:Discovery Of A Highly Potent Kinase Inhibitor Capable Of Overcoming Multiple Imatinib-Resistant Abl Mutants For Chronic Myeloid Leukemia (Cml)
作者:Lu,Tingting; Et Al
参考文献:European Journal Of Pharmacology 日期:2021 卷标:897]

261952-01-6 = 859282-11-4
反应条件:1.1 Catalysts: Sulfuric Acid; Rt; Overnight,Reflux; Cooled1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 82.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Acetonitrile; Overnight,Reflux3.1 Reagents: Potassium Carbonate Solvents: Dichloromethane; 2 H,Rt4.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 15 Min,Cooled; Overnight,60 °C; Cooled4.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5 - 6
标题:Discovery Of New Quinolone-Based Diarylamides As Potent B-Rafv600E/c-Raf Kinase Inhibitors Endowed With Promising In-Vitro Anticancer Activity
作者:Kim,Hyun Ji; Et Al
参考文献:International Journal Of Molecular Sciences 日期:2023 卷标:24(4)]

896160-80-8 = 859282-11-4
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 15 Min,Cooled; Overnight,60 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5 - 6
标题:Discovery Of New Quinolone-Based Diarylamides As Potent B-Rafv600E/c-Raf Kinase Inhibitors Endowed With Promising In-Vitro Anticancer Activity
作者:Kim,Hyun Ji; Et Al
参考文献:International Journal Of Molecular Sciences 日期:2023 卷标:24(4)]

109-01-3 + 863248-28-6 = 859282-11-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dichloromethane; 2 H,Rt2.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 15 Min,Cooled; Overnight,60 °C; Cooled2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5 - 6
标题:Discovery Of New Quinolone-Based Diarylamides As Potent B-Rafv600E/c-Raf Kinase Inhibitors Endowed With Promising In-Vitro Anticancer Activity
作者:Kim,Hyun Ji; Et Al
参考文献:International Journal Of Molecular Sciences 日期:2023 卷标:24(4)]

116419-94-4 = 859282-11-4
反应条件:1.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon Tetrachloride; Overnight,Reflux2.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 2 H,Rt2.2 Reagents: Lithium Hydroxide Solvents: Methanol,Water; 6 H,Reflux
标题:Discovery Of A Highly Potent Kinase Inhibitor Capable Of Overcoming Multiple Imatinib-Resistant Abl Mutants For Chronic Myeloid Leukemia (Cml)
作者:Lu,Tingting; Et Al
参考文献:European Journal Of Pharmacology 日期:2021 卷标:897]

261952-01-6 = 859282-11-4
反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Methanol,Water; 2 H,Reflux2.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon Tetrachloride; Overnight,Reflux3.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 2 H,Rt3.2 Reagents: Lithium Hydroxide Solvents: Methanol,Water; 6 H,Reflux
标题:Discovery Of A Highly Potent Kinase Inhibitor Capable Of Overcoming Multiple Imatinib-Resistant Abl Mutants For Chronic Myeloid Leukemia (Cml)
作者:Lu,Tingting; Et Al
参考文献:European Journal Of Pharmacology 日期:2021 卷标:897