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Revaprazan hydrochloride, SB-641257A, YH-1885

盐酸瑞伐拉赞 盐酸瑞伐拉赞 Chemical Name: N-(4-Fluorophenyl)-4,5-dimethyl-6-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-amine hydrochloride; N-[4,5-Dimethyl-6-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-yl]-N-(4-fluorophenyl)amine hydrochloride
CAS No. 178307-42-1, 199463-33-7 (free base)
项目整合开发状态: Phase III
项目研究机构: Yuhan (Originator), GlaxoSmithKline (Licensee)
合成路线:The intermediate tetrahydroisoquinoline (IV) has been prepared by two synthetic strategies.Condensation of alpha-methyl benzylamine (I) with alpha-chloro-alpha-(methylsulfanyl)acetyl chloride (II) in the presence of SnCl2 furnished the tetrahydroisoquinolinone (III).Reductive cleavage of the methylsulfanyl group of (III) employing Raney-Ni,followed by lactam reduction,provided intermediate (IV).

合成路线:In a different method,cetylation of phenethylamine (XVI) with acetyl chloride (XVII) by means of Et3N in dichloromethane provides N-(2-phenylethyl)acetamide (XVIII),which is cyclized with hot polyphosphoric acid to afford 1-methyl-3,4-dihydroisoquinoline (XIX).Finally,compound (XIX) is reduced with sodium borohydride in EtOH.
📌 参考资料/链接:
参考文献标题:Quinazoline derivs.
文献作者:Lee,J.W.; Chae,J.S.; Kim,C.S.; Kim,J.K.; Lim,D.S.; Shon,M.K.; Jo,D.W.(Yuhan Corp.)
参考来源:EP 0677049; WO 9414795

📄 详细内容


合成路线:Chlorination of 5,6-dimethyl-2,4-dihydroxypyrimidine (VIII) using phosphorus oxychloride in the presence of N,N-dimethylaniline provided dichloropyrimidine (IX).The 4-chloro group of (IX) was then selectively displaced with tetrahydroisoquinoline (IV) to afford adduct (X).The title compound was then obtained by condensation of the 2-chloropyrimidine (X) with 4-fluoroaniline (XI),followed by conversion to the corresponding hydrochloride salt

参考文献标题:Novel pyrimidine derivs.and processes for the preparation thereof
文献作者:Lee,J.W.; Chae,J.S.; Kim,C.S.; Kim,J.K.; Lim,D.S.; Shon,M.K.; Choi,Y.S.; Lee,S.H.(Yuhan Corp.)
参考来源:EP 0775120; JP 1997509188; US 5750531; WO 9605177


合成路线:In a different method,amine (I) was alkylated with 2-bromoethanol (V) to give the N-(hydroxyethyl) amine (VI),which was further converted to bromo amine (VII) by treatment with concentrated HBr.Friedel-Crafts cyclization of (VII) upon heating in the presence of AlCl3 furnished tetrahydroisoquinoline (IV).

合成路线:In an alternative procedure,4-fluoroaniline (XI) was condensed with cyanamide under acidic conditions to afford the fluorophenyl guanidine (XII).Cyclization of guanidine (XII) with ethyl 2-methylacetoacetate (XIII) in hot DMF produced pyrimidine (XIV).After chlorination of (XIV) with POCl3,the resultant chloropyrimidine (XV) was condensed with tetrahydroisoquinoline (IV) in the presence of either KOAc or Et3N to furnish the title diaminopyrimidine.

参考文献标题:Process for preparation of pyrmidine derivs.
文献作者:Lee,Y.N.; Hong,Y.W.; Kim,H.B.(Yuhan Corp.)
参考来源:US 5990311; WO 9742186


合成路线:In a different method,amine (I) was alkylated with 2-bromoethanol (V) to give the N-(hydroxyethyl) amine (VI),which was further converted to bromo amine (VII) by treatment with concentrated HBr.Friedel-Crafts cyclization of (VII) upon heating in the presence of AlCl3 furnished tetrahydroisoquinoline (IV).

合成路线:In an alternative procedure,4-fluoroaniline (XI) was condensed with cyanamide under acidic conditions to afford the fluorophenyl guanidine (XII).Cyclization of guanidine (XII) with ethyl 2-methylacetoacetate (XIII) in hot DMF produced pyrimidine (XIV).After chlorination of (XIV) with POCl3,the resultant chloropyrimidine (XV) was condensed with tetrahydroisoquinoline (IV) in the presence of either KOAc or Et3N to furnish the title diaminopyrimidine.

参考文献标题:Process for preparation of pyrimidine derivs.
文献作者:Lee,Y.N.; Hong,Y.W.; Kim,H.B.(Yuhan Corp.)
参考来源:WO 9818784


合成路线:In a different method,amine (I) was alkylated with 2-bromoethanol (V) to give the N-(hydroxyethyl) amine (VI),which was further converted to bromo amine (VII) by treatment with concentrated HBr.Friedel-Crafts cyclization of (VII) upon heating in the presence of AlCl3 furnished tetrahydroisoquinoline (IV).

合成路线:In an alternative procedure,4-fluoroaniline (XI) was condensed with cyanamide under acidic conditions to afford the fluorophenyl guanidine (XII).Cyclization of guanidine (XII) with ethyl 2-methylacetoacetate (XIII) in hot DMF produced pyrimidine (XIV).After chlorination of (XIV) with POCl3,the resultant chloropyrimidine (XV) was condensed with tetrahydroisoquinoline (IV) in the presence of either KOAc or Et3N to furnish the title diaminopyrimidine.

参考文献标题:Process for preparing 1-methyl-1,2,3,4-tetrahydroisoquinoline or a salt thereof
文献作者:Breen,G.F.; Forth,M.A.; Popkin,M.E.
参考来源:WO 0288088


合成路线:Chlorination of 5,6-dimethyl-2,4-dihydroxypyrimidine (VIII) using phosphorus oxychloride in the presence of N,N-dimethylaniline provided dichloropyrimidine (IX).The 4-chloro group of (IX) was then selectively displaced with tetrahydroisoquinoline (IV) to afford adduct (X).The title compound was then obtained by condensation of the 2-chloropyrimidine (X) with 4-fluoroaniline (XI),followed by conversion to the corresponding hydrochloride salt

合成路线:In an alternative procedure,4-fluoroaniline (XI) was condensed with cyanamide under acidic conditions to afford the fluorophenyl guanidine (XII).Cyclization of guanidine (XII) with ethyl 2-methylacetoacetate (XIII) in hot DMF produced pyrimidine (XIV).After chlorination of (XIV) with POCl3,the resultant chloropyrimidine (XV) was condensed with tetrahydroisoquinoline (IV) in the presence of either KOAc or Et3N to furnish the title diaminopyrimidine.

合成路线:In a different method,cetylation of phenethylamine (XVI) with acetyl chloride (XVII) by means of Et3N in dichloromethane provides N-(2-phenylethyl)acetamide (XVIII),which is cyclized with hot polyphosphoric acid to afford 1-methyl-3,4-dihydroisoquinoline (XIX).Finally,compound (XIX) is reduced with sodium borohydride in EtOH.
参考文献标题:Revaprazan Hydrochloride
文献作者:Castar,J.; Mart韓,L.; Sorbera,L.A.
参考来源:Drugs Fut 2004,29(5),455


产品链接: CAS No. 178307-42-1››

产品链接: CAS No.199463-33-7››