N-(4-aminophenethyl)-N-[2-(2,6-dimethylphenoxy)-1-methylethyl]-N-methylamine; 4-[2-[[2-(2,6-dimethylphenoxy)-1-methylethyl](methyl)amino]ethyl]aniline -Drug Synthesis Database

【结构式】

【分子编号】34751

【品名】N-(4-aminophenethyl)-N-[2-(2,6-dimethylphenoxy)-1-methylethyl]-N-methylamine; 4-[2-[[2-(2,6-dimethylphenoxy)-1-methylethyl](methyl)amino]ethyl]aniline

【CA登记号】

【分子式】C₂₀H₂₈N₂O

【分子量】312.4552

【元素组成】C 76.88% H 9.03% N 8.97% O 5.12%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(IV)

Amine (I) was alkylated with 4-nitrophenethyl bromide (II) in refluxing isopropanol to yield the tertiary amine (III). Hydrogenation of the nitro group of (III) employing Pd/C afforded aniline (IV). Subsequent condensation of (IV) with methanesulfonyl chloride in the presence of Et3N produced the corresponding sulfonamide. The title compound was finally isolated as the hydrochloride salt.

参考文献中间体

合成目标

【1】 Berzsenyi, P.; Druga, A.; Pátfalusi, M.; Varga, I.; Rettegi, T.; Barlocco, D.; Moravcsik, I.; Mátyus, P.; Papp, G.; Varró, A.; Cignarella, G.; Simay, A. (Albert Szent-Györgyi Medical University ; Gyogyszerkutato Intezet Kft.); Novel antiarrhythmic cpds.. WO 9929655 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
	13467	Methanesulfonyl chloride;Mesyl chloride;Methylsulfonyl chloride;Methanesulfonic acid chloride;Methanesulfonyl chloride;Methanesulphonyl chloride	124-63-0	CH₃ClO₂S	详情	详情
(I)	34749	1-(2,6-dimethylphenoxy)-N-methyl-2-propanamine; N-[2-(2,6-dimethylphenoxy)-1-methylethyl]-N-methylamine		C₁₂H₁₉NO	详情	详情
(II)	19191	1-(2-bromoethyl)-4-nitrobenzene	5339-26-4	C₈H₈BrNO₂	详情	详情
(III)	34750	1-(2,6-dimethylphenoxy)-N-methyl-N-(4-nitrophenethyl)-2-propanamine; N-[2-(2,6-dimethylphenoxy)-1-methylethyl]-N-methyl-N-(4-nitrophenethyl)amine		C₂₀H₂₆N₂O₃	详情	详情
(IV)	34751	N-(4-aminophenethyl)-N-[2-(2,6-dimethylphenoxy)-1-methylethyl]-N-methylamine; 4-[2-[[2-(2,6-dimethylphenoxy)-1-methylethyl](methyl)amino]ethyl]aniline		C₂₀H₂₈N₂O	详情	详情

Extended Information