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Floctafenine, Ru-15750, R-4318, Idarac

夫洛非宁Chemical Name: 2-[8-(Trifluoromethyl)quinolin-4-ylamino]benzoic acid 2,3-dihydroxypropyl ester
CAS No. 23779-99-9
项目整合开发状态: Biological Testing
项目研究机构:
合成路线:1) Condensation of 2-trifluoromethylaniline (I) with ethyl ethoxymethylenemalonate (II) at 125 C to give ethyl-alpha-carbethoxy-beta-(2-trifluoromethylanilino)acrylate (III),m.p.94 C; this product is cyclized by refluxing with diphenyl ether affording 3-carbethoxy-4-hydroxy-8-trifluoromethylquinoline (IV),m.p.216 C,which in turn,is hydrolyzed with refluxing aqueous NaOH to the corresponding acid (V),m.p.290-2 C; this acid is decarboxylated by refluxing in diphenyl ether to 4-hydroxy-8-trifluoromethylquinoline (VI),m.p.180 C; this product by refluxing with POCl3 is converted into chloro-8-trifluoromethylquinoline (VII),m.p.78 C; the condensation of quinoline (VII) with methyl anthranilate (A) by means of aqueous 2N HCl affords 4-(2-methoxycarbonylphenylamino)-8-trifluoromethylquinoline (VIII),m.p.176 C (1,2).The transesterification of methyl ester (VIII) with glycerol affords the final product.(1)2) Transesterification of methylester (VIII) with 2,2-dimethyl-4-hydroxymethyl-1,3-dioxolane (B) to give the acetoneketal of floctafenine (IX),mp 108 C which is finally hydrolized with HCl.(2)3) Condensation of the chloroquinoline (VII) with the 2,2-dimethyl-4-hydroxymethyl-2,3-dioxolane ester of anthranilic acid by means aqueous HCl to give the already obtained acetoneketal (IX),which is finally hydrolized as before.(2)
📌 参考资料/链接:
参考文献标题:NMR structure of tissue inhibitor of metalloproteinases-1 implicates localized induced fit in recognition of matrix metalloproteinases
文献作者:Allais,A.; et al.
参考来源:Chim Ther 1973,8(2),154

📄 详细内容


合成路线:1) Condensation of 2-trifluoromethylaniline (I) with ethyl ethoxymethylenemalonate (II) at 125 C to give ethyl-alpha-carbethoxy-beta-(2-trifluoromethylanilino)acrylate (III),m.p.94 C; this product is cyclized by refluxing with diphenyl ether affording 3-carbethoxy-4-hydroxy-8-trifluoromethylquinoline (IV),m.p.216 C,which in turn,is hydrolyzed with refluxing aqueous NaOH to the corresponding acid (V),m.p.290-2 C; this acid is decarboxylated by refluxing in diphenyl ether to 4-hydroxy-8-trifluoromethylquinoline (VI),m.p.180 C; this product by refluxing with POCl3 is converted into chloro-8-trifluoromethylquinoline (VII),m.p.78 C; the condensation of quinoline (VII) with methyl anthranilate (A) by means of aqueous 2N HCl affords 4-(2-methoxycarbonylphenylamino)-8-trifluoromethylquinoline (VIII),m.p.176 C (1,2).The transesterification of methyl ester (VIII) with glycerol affords the final product.(1)2) Transesterification of methylester (VIII) with 2,2-dimethyl-4-hydroxymethyl-1,3-dioxolane (B) to give the acetoneketal of floctafenine (IX),mp 108 C which is finally hydrolized with HCl.(2)3) Condensation of the chloroquinoline (VII) with the 2,2-dimethyl-4-hydroxymethyl-2,3-dioxolane ester of anthranilic acid by means aqueous HCl to give the already obtained acetoneketal (IX),which is finally hydrolized as before.(2)

参考文献标题:Floctafenine
文献作者:Castar,J.; Arrigoni,Martelli,E.
参考来源:Drugs Fut 1976,1(2),59


合成路线:1) Condensation of 2-trifluoromethylaniline (I) with ethyl ethoxymethylenemalonate (II) at 125 C to give ethyl-alpha-carbethoxy-beta-(2-trifluoromethylanilino)acrylate (III),m.p.94 C; this product is cyclized by refluxing with diphenyl ether affording 3-carbethoxy-4-hydroxy-8-trifluoromethylquinoline (IV),m.p.216 C,which in turn,is hydrolyzed with refluxing aqueous NaOH to the corresponding acid (V),m.p.290-2 C; this acid is decarboxylated by refluxing in diphenyl ether to 4-hydroxy-8-trifluoromethylquinoline (VI),m.p.180 C; this product by refluxing with POCl3 is converted into chloro-8-trifluoromethylquinoline (VII),m.p.78 C; the condensation of quinoline (VII) with methyl anthranilate (A) by means of aqueous 2N HCl affords 4-(2-methoxycarbonylphenylamino)-8-trifluoromethylquinoline (VIII),m.p.176 C (1,2).The transesterification of methyl ester (VIII) with glycerol affords the final product.(1)2) Transesterification of methylester (VIII) with 2,2-dimethyl-4-hydroxymethyl-1,3-dioxolane (B) to give the acetoneketal of floctafenine (IX),mp 108 C which is finally hydrolized with HCl.(2)3) Condensation of the chloroquinoline (VII) with the 2,2-dimethyl-4-hydroxymethyl-2,3-dioxolane ester of anthranilic acid by means aqueous HCl to give the already obtained acetoneketal (IX),which is finally hydrolized as before.(2)
参考文献标题:
文献作者:(Roussel-Uclaf.)
参考来源:DE 1815467


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