CAS: 1620494-29-2; Ethyl 1-(4-(Benzyloxy)Phenyl)-7-Oxo-6-(4-(2-Oxopiperidin-1-yl)Phenyl)-4,5,6,7-Tetrahydro-1H-Pyrazolo[3,4-C]Pyridine-3-Carboxylate

英文名称Ethyl 1-(4-(Benzyloxy)Phenyl)-7-Oxo-6-(4-(2-Oxopiperidin-1-yl)Phenyl)-4,5,6,7-Tetrahydro-1H-Pyrazolo[3,4-C]Pyridine-3-Carboxylate
中文名称阿哌沙班杂质51
IUPAC名称ethyl 1-(4-(benzyloxy)phenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
其它别名Apixaban Impurity 51; Ethyl 1-(4-(Benzyloxy)Phenyl)-7-Oxo-6-(4-(2-Oxopiperidin-1-yl)Phenyl)-4,5,6,7-Tetrahydro-1H-Pyrazolo[3,4-C]Pyridine-3-Carboxylate; Desmethyl-O-Benzyl Apixaban Carboxylate; Apixaban Impurity 51Q: What Is Apixaban Impurity 51 Q: What Is The Cas Number Of Apixaban Impurity 51; 1H-Pyrazolo[3,4-C]Pyridine-3-Carboxylic Acid, 4,5,6,7-Tetrahydro-7-Oxo-6-[4-(2-Oxo-1-Piperidinyl)Phenyl]-1-[4-(Phenylmethoxy)Phenyl]-, Ethyl Ester; Ethyl 1- ( 4- ( Benzyloxy ) Phenyl ) -7 - Oxo - 6- ( 4- ( 2 - Oxopiperidin - 1 - Yl ) Phenyl ) -4,5,6,7 - Tetrahyd
CAS编号1620494-29-2
分子式:C33H32N4O5分子量:564.64
产品CID: 818692
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: NQADJRHKQGNFII-UHFFFAOYSA-N
InChI=1S/C33H32N4O5/c1-2-41-33(40)30-28-19-21-36(25-13-11-24(12-14-25)35-20-7-6-10-29(35)38)32(39)31(28)37(34-30)26-15-17-27(18-16-26)42-22-23-8-4-3-5-9-23/h3-5,8-9,11-18
计算化学: 氢键受体数6.0氢键供体数0.0可旋转键数9.0

物理性质

沸点821.2±65.0 °C(预测)
密度1.30±0.1 g/cm3(预测)
pKa:0.78±0.20(预测)
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态黄色至深黄色固体

上下游产品

4-nitro-phenol benzyl bromide benzyl 4-nitrophenyl ether p-benzyloxyaniline 1-(4-benzyloxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid 1-(4-benzyloxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid amide O-Demethylapixaban

合成工艺路线路线简述

合成目标产物 Apixaban Impurity 51 主要起始原料 3-Morpholino-1-(4-(2-Oxopiperidin-1-yl)Phenyl)-5,6-Dihydropyridin-2(1H)-One And Acetic Acid, 2-Chloro-2-[2-[4-(Phenylmethoxy)Phenyl]Hydrazinylidene]-, Ethyl Ester, (2Z)-
(文献来源)合成步骤主要原料 3-Morpholino-1-(4-(2-Oxopiperidin-1-yl)Phenyl)-5,6-Dihydropyridin-2(1H)-One 和 Acetic Acid, 2-Chloro-2-[2-[4-(Phenylmethoxy)Phenyl]Hydrazinylidene]-, Ethyl Ester, (2Z)-

📜4-苄氧基-1-硝基苯置于盐酸,Sodium Sulfide,三乙胺,Potassium Iodide,Sodium Nitrite体系中,用乙醇,水,乙酸乙酯用作溶剂,化学反应 2.0H,反应生成阿哌沙班杂质51
参考文献: Process For The Preparation And Purification Of Apixaban[fr] Procédé De Préparation Et De Purification D'Apixaban
标题: Process For The Preparation And Purification Of Apixaban[fr] Procédé De Préparation Et De Purification D'Apixaban
摘要:本发明提供了一种阿匹沙班的制备和纯化过程.