CAS: 717917-14-1; 2-Methyl-6-[(4-Methylphenyl)Sulfonyl]-3,4,5,6-Tetrahydroimidazo[4 ,5-D][1]Benzazepine

英文名称2-Methyl-6-[(4-Methylphenyl)Sulfonyl]-3,4,5,6-Tetrahydroimidazo[4 ,5-D][1]Benzazepine
中文名称2-甲基-6-(4-甲基苯磺酰基)-1,4,5,6-四氢咪唑[4,5-d][1]苯并氮杂卓盐酸盐
CAS编号717917-14-1
MFCD编号:MFCD19440899
分子式:C19H19N3O2S分子量:353.44
产品CID: 1707050
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: FJMULJYPXDDJSY-UHFFFAOYSA-N
1S/C19H19N3O2S/c1-13-7-9-15(10-8-13)25(23,24)22-12-11-17-19(21-14(2)20-17)16-5-3-4-6-18(16)22/h3-10H,11-12H2,1-2H3,(H,20,21)
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数2.0

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合成工艺路线路线简述

📜2-(4-甲基苯磺酰胺基)苯甲酸甲酯置于盐酸,Potassium Tert-Butylate,Pyridinium Hydrobromide Perbromide,Potassium Carbonate,溶剂黄146,Potassium Iodide体系中,用氯仿,N,N-二甲基甲酰胺,丁酮作为反应溶剂,化学反应 122.0H,反应生成 2-甲基-6-(4-甲基苯磺酰基)-1,4,5,6-四氢咪唑[4,5-D][1]苯并氮杂卓盐酸盐
参考文献:A New Synthetic Route To Ym087,An Arginine Vasopressin Antagonist
标题:A New Synthetic Route To Ym087,An Arginine Vasopressin Antagonist
摘要:A New Synthesis Of N-{4-[(2-Methyl-4,5-Dihydroimidazo[4,5-D][1]Benzazepin-6(1H)-yl)Carbonyl]Phenyl}Biphenyl-2-Carboxamide Monohydrochloride (1,Ym087) Via New Imidazobenzazepine Intermediates Is Described. This Method Remarkably Improves The Overall Yield Of 1 Compared To The Original Synthesis Providing A More Safe,Reliable And Cost-Efficient Approach To 1.
DOI:10.3987/com-04-10025