Tonabersat, SB-220453

托那博沙Chemical Name: (-)-(3S,4S)-cis-N-(6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-chloro-4-fluorobenzamide; (-)-cis-6-acetyl-4(S)-(3-chloro-4-fluorobenzamido)-3,4-dihydro-2,2-dimethyl-2H-benzo[b]pyran-3(S)-ol
CAS No. 175013-84-0
项目整合开发状态: Phase II
项目研究机构: GlaxoSmithKline (Originator)
合成路线:The cyclization of 4-hydroxyacetophenone (I) with 3-chloro-3-methyl-1-butyne (II) gives 6-acetyl-2,2-dimethyl-2H-1-benzopyran (III),which is enantioselectively epoxidized by means of Mn+3 salen catalysts,yielding the chiral epoxide (IV).The cleavage of the epoxide ring of (IV) with ammonia in ethanol affords the (3R,4S)-trans-aminoalcohol (V).The acylation of (V) with 3-chloro-4-fluorobenzoyl chloride (VI) and triethylamine yields the (3R,4S)-trans-amide (VII).The cyclization of (VII) by means of diethylaminosulfur trifluoride (DAST) in dichloromethane affords the (3aS-cis)-oxazoline (VIII),which is finally treated with 5N H2SO4.
📌 参考资料/链接:
参考文献标题:Bicyclic cpds.with pharmaceutical activity
文献作者:Thompson,M.; Evans,J.M.; Upton,N.; Chan,W.N.; Vong,K.K.; Willette,R.N.(SmithKline Beecham plc)
参考来源:EP 0673373; JP 1996505132; US 5908860; WO 9413656

📄 详细内容


合成路线:The cyclization of 4-hydroxyacetophenone (I) with 3-chloro-3-methyl-1-butyne (II) gives 6-acetyl-2,2-dimethyl-2H-1-benzopyran (III),which is enantioselectively epoxidized by means of Mn+3 salen catalysts,yielding the chiral epoxide (IV).The cleavage of the epoxide ring of (IV) with ammonia in ethanol affords the (3R,4S)-trans-aminoalcohol (V).The acylation of (V) with 3-chloro-4-fluorobenzoyl chloride (VI) and triethylamine yields the (3R,4S)-trans-amide (VII).The cyclization of (VII) by means of diethylaminosulfur trifluoride (DAST) in dichloromethane affords the (3aS-cis)-oxazoline (VIII),which is finally treated with 5N H2SO4.

参考文献标题:Benzopyrans and their use as therapeutic agents
文献作者:Chan,W.N.; Morgan,H.K.A.; Thompson,M.; Evans,J.M.(SmithKline Beecham plc)
参考来源:EP 0764157; JP 1998501251; US 5760074; WO 9534545


合成路线:The cyclization of 4-hydroxyacetophenone (I) with 3-chloro-3-methyl-1-butyne (II) gives 6-acetyl-2,2-dimethyl-2H-1-benzopyran (III),which is enantioselectively epoxidized by means of Mn+3 salen catalysts,yielding the chiral epoxide (IV).The cleavage of the epoxide ring of (IV) with ammonia in ethanol affords the (3R,4S)-trans-aminoalcohol (V).The acylation of (V) with 3-chloro-4-fluorobenzoyl chloride (VI) and triethylamine yields the (3R,4S)-trans-amide (VII).The cyclization of (VII) by means of diethylaminosulfur trifluoride (DAST) in dichloromethane affords the (3aS-cis)-oxazoline (VIII),which is finally treated with 5N H2SO4.

参考文献标题:Chiral catalysts and epoxidation reactions catalyzed thereby
文献作者:Attrill,R.P.; Bell,D.; Miller,D.(SmithKline Beecham plc)
参考来源:WO 9403271


合成路线:The cyclization of 4-hydroxyacetophenone (I) with 3-chloro-3-methyl-1-butyne (II) gives 6-acetyl-2,2-dimethyl-2H-1-benzopyran (III),which is enantioselectively epoxidized by means of Mn+3 salen catalysts,yielding the chiral epoxide (IV).The cleavage of the epoxide ring of (IV) with ammonia in ethanol affords the (3R,4S)-trans-aminoalcohol (V).The acylation of (V) with 3-chloro-4-fluorobenzoyl chloride (VI) and triethylamine yields the (3R,4S)-trans-amide (VII).The cyclization of (VII) by means of diethylaminosulfur trifluoride (DAST) in dichloromethane affords the (3aS-cis)-oxazoline (VIII),which is finally treated with 5N H2SO4.

合成路线:The cyclization of 4-hydroxyacetophenone (I) with 3-chloro-3-methyl-1-butyne (II) gives 5-acetyl-2,2-dimethyl-2H-1-benzopyran (III),which is enantioselectively epoxidized catalyzed by chiral salen Mn(III) catalysts to yield the (3R,4R)-epoxide (IV).The reaction of (IV) with ammonia in ethanol affords the (3R,4S)-aminoalcohol (V),which is finally acylated with 4-fluorobenzoyl chloride (VI) and TEA in dichloromethane to provide the target amide.Alternatively,the target amide can also be obtained by direct cleavage of the epoxide ring of (IV) with 4-fluorobenzamide (VII) by means of tBu-OK in tert-butanol.

参考文献标题:Synthesis of novel trans-4-(substituted-benzamido)-3,4-dihydro-2H-benzo[b]-pyran-3-ol derivatives as potential anticonvulsant agents with a distinctive binding profile
文献作者:Chan,W.N.; Evans,J.M.; Hadley,M.S.; Herdon,H.J.; Jerman,J.C.; Morgan,H.K.; Stean,T.O.; Thompson,M.; Upton,N.; Vong,A.K.
参考来源:J Med Chem 1996,39(23),4537


合成路线:The cyclization of 4-hydroxyacetophenone (I) with 3-chloro-3-methyl-1-butyne (II) gives 6-acetyl-2,2-dimethyl-2H-1-benzopyran (III),which is enantioselectively epoxidized by means of Mn+3 salen catalysts,yielding the chiral epoxide (IV).The cleavage of the epoxide ring of (IV) with ammonia in ethanol affords the (3R,4S)-trans-aminoalcohol (V).The acylation of (V) with 3-chloro-4-fluorobenzoyl chloride (VI) and triethylamine yields the (3R,4S)-trans-amide (VII).The cyclization of (VII) by means of diethylaminosulfur trifluoride (DAST) in dichloromethane affords the (3aS-cis)-oxazoline (VIII),which is finally treated with 5N H2SO4.
参考文献标题:Tonabersat
文献作者:Castar,J.; Leeson,P.; Rabasseda,X.
参考来源:Drugs Fut 1999,24(10),1078


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