ABT-719, A-86719.1

4H-喹喹嗪-3-羧酸,8-[(3S)-3-氨基-1-吡咯里苯丙基]-1-环丙基-7-氟-9-甲基-4-氧基-盐酸盐(1:1) 4H-喹喹嗪-3-羧酸,8-[(3S)-3-氨基-1-吡咯里二基]-1-环丙基-7-氟-9-甲基-4-氧基- Chemical Name: 8-[3(S)-Aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid hydrochloride monohydrate
CAS No. 162763-53-3 (anhydrous), 162829-90-5 (anhydrous, free base), 162829-89-2 (anhydrous, undefined isomer)
项目整合开发状态: Phase II
项目研究机构: Abbott (Originator)
合成路线:The reaction of 3-chlorotetrafluoropyridine (I) with sodium tert-butoxide in THF gives 4-tert-butoxy-3-chloro-2,5,6-trifluoropyridine (II),which is dechlorinated with H2 over Pd/C in methanol yielding 4-tert-butoxy-2,3,6-trifluoropyridine (III).The methylation of (III) with methyl iodide and lithium diethylamide (LDA) in THF affords 4-tert-butoxy-2,3,6-trifluoro-5-methylpyridine (IV),which is selectively defluorinated with hydrazine in refluxing propanol to give 4-tert-butoxy-2,5-difluoro-3-methylpyridine (V).The condensation of (V) with cyclopropylacetonitrile (VI) by means of LDA in THF yields 2-(4-tert-butoxy-5-fluoro-3-methyl-2-pyridyl)-2-cyclopropylacetonitrile (VII),which is treated first with trifluoroacetic acid and then with POCl3 to afford 2-(4-chloro-5-fluoro-3-methyl-2-pyridyl)-2-cyclopropylacetonitrile (VIII).The alcoholysis of (VIII) with ethanol/HCl gives the corresponding ethyl ester (IX),which is partially reduced with LiAlH4 in THF to afford the corresponding aldehyde (X).The condensation of (X) with diethyl malonate (XI) by means of piperidine in refluxing ethanol yields the ethylidenemalonate (XII),which,without isolation,is cyclized by heating at 235 C in Dowtherm to afford 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid ethyl ester (XIII).The reaction of (XIII) with 3(S)-(tert-butoxycarbonylamino)pyrrolidine (XIV) by means of NaHCO3 in acetonitrile gives the corresponding condensation product (XV),which is hydrolyzed ith LiOH in THF/water to the corresponding free acid (XVI).Finally,this compound is deprotected with 4N HCl in dioxandichloromethane.
📌 参考资料/链接:
参考文献标题:Quinolizinone type cpds
文献作者:Chu,D.T.; Li,Q.; Cooper,C.S.; Fung,A.K.L.; Lee,C.M.; Plattner,J.J.(Abbott Laboratories Inc.)
参考来源:JP 1997503783; WO 9510519

📄 详细内容


合成路线:The reaction of 3-chlorotetrafluoropyridine (I) with sodium tert-butoxide in THF gives 4-tert-butoxy-3-chloro-2,5,6-trifluoropyridine (II),which is dechlorinated with H2 over Pd/C in methanol yielding 4-tert-butoxy-2,3,6-trifluoropyridine (III).The methylation of (III) with methyl iodide and lithium diethylamide (LDA) in THF affords 4-tert-butoxy-2,3,6-trifluoro-5-methylpyridine (IV),which is selectively defluorinated with hydrazine in refluxing propanol to give 4-tert-butoxy-2,5-difluoro-3-methylpyridine (V).The condensation of (V) with cyclopropylacetonitrile (VI) by means of LDA in THF yields 2-(4-tert-butoxy-5-fluoro-3-methyl-2-pyridyl)-2-cyclopropylacetonitrile (VII),which is treated first with trifluoroacetic acid and then with POCl3 to afford 2-(4-chloro-5-fluoro-3-methyl-2-pyridyl)-2-cyclopropylacetonitrile (VIII).The alcoholysis of (VIII) with ethanol/HCl gives the corresponding ethyl ester (IX),which is partially reduced with LiAlH4 in THF to afford the corresponding aldehyde (X).The condensation of (X) with diethyl malonate (XI) by means of piperidine in refluxing ethanol yields the ethylidenemalonate (XII),which,without isolation,is cyclized by heating at 235 C in Dowtherm to afford 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid ethyl ester (XIII).The reaction of (XIII) with 3(S)-(tert-butoxycarbonylamino)pyrrolidine (XIV) by means of NaHCO3 in acetonitrile gives the corresponding condensation product (XV),which is hydrolyzed ith LiOH in THF/water to the corresponding free acid (XVI).Finally,this compound is deprotected with 4N HCl in dioxandichloromethane.

参考文献标题:Synthesis and antibacterial activity of A-86719.1 and related 2-pyridones: A novel series of potent DNA gyrase inhibitors
文献作者:Chu,D.T.W.; Li,Q.; Claiborne,A.; et al.
参考来源:34th Intersci Conf Antimicrob Agents Chemother (Oct 4-7,Orlando) 1994,Abst F41


合成路线:The reaction of 3-chlorotetrafluoropyridine (I) with sodium tert-butoxide in THF gives 4-tert-butoxy-3-chloro-2,5,6-trifluoropyridine (II),which is dechlorinated with H2 over Pd/C in methanol yielding 4-tert-butoxy-2,3,6-trifluoropyridine (III).The methylation of (III) with methyl iodide and lithium diethylamide (LDA) in THF affords 4-tert-butoxy-2,3,6-trifluoro-5-methylpyridine (IV),which is selectively defluorinated with hydrazine in refluxing propanol to give 4-tert-butoxy-2,5-difluoro-3-methylpyridine (V).The condensation of (V) with cyclopropylacetonitrile (VI) by means of LDA in THF yields 2-(4-tert-butoxy-5-fluoro-3-methyl-2-pyridyl)-2-cyclopropylacetonitrile (VII),which is treated first with trifluoroacetic acid and then with POCl3 to afford 2-(4-chloro-5-fluoro-3-methyl-2-pyridyl)-2-cyclopropylacetonitrile (VIII).The alcoholysis of (VIII) with ethanol/HCl gives the corresponding ethyl ester (IX),which is partially reduced with LiAlH4 in THF to afford the corresponding aldehyde (X).The condensation of (X) with diethyl malonate (XI) by means of piperidine in refluxing ethanol yields the ethylidenemalonate (XII),which,without isolation,is cyclized by heating at 235 C in Dowtherm to afford 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid ethyl ester (XIII).The reaction of (XIII) with 3(S)-(tert-butoxycarbonylamino)pyrrolidine (XIV) by means of NaHCO3 in acetonitrile gives the corresponding condensation product (XV),which is hydrolyzed ith LiOH in THF/water to the corresponding free acid (XVI).Finally,this compound is deprotected with 4N HCl in dioxandichloromethane.
参考文献标题:ABT-719
文献作者:Fromtling,R.A.; Castar,J.
参考来源:Drugs Fut 1995,20(11),1103


产品链接: CAS No. 162763-53-3››

产品链接: CAS No.162829-90-5››