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Cromakalim, M&B-44809, BRL-38227((-)-enantiomer), BRL-38266((+)-enantiomer), BRL-34915

Chemical Name: (?-trans-6-Cyano-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-benzo[b]pyran-3-ol
CAS No. 94470-67-4, 86776-67-2 (undefined stereoch.)
项目整合开发状态: Phase III
项目研究机构: GlaxoSmithKline (Originator)
合成路线:1) The cyclization of 4-cyanophenol (I) with 3-chloro-3-methylbutine (II) by means of benzyltrimethylammonium hydroxide in methanol-CH2Cl2 gives 6-cyano-2,2-dimethyl-2H-benzo[b]pyran (III),which is treated with N-bromosuccinimide in DMSO to afford 6-cyano-trans-3-bromo-3,4-dihydro-2,2-dimethyl 2H benzo[b]pyran-4-ol (IV).Epoxidation of (IV) by means of NaOH in dioxane-water yields 6-cyano-3-(4-dihydro-3,4-epoxy-2,2-dimethyl-2H-benzo[b]pyran (V),which is finally treated with 4-aminobutyric acid (VI) and NaHCO3 in refluxing ethanol.2) By reaction of epoxide (V) with 2-pyrrolidone (X) by means of NaH in DMSO.

合成路线:The reaction of epoxide (V) with ammonia in ethanol gives 4-amino-6-cyano-3,4-dihydro-2,2-dimethyl-trans-2H-benzo[b]pyran-3-ol (VII),which is condensed with 4-chlorobutyryl chloride (VIII) by means of NaOH in CHCl3 yielding 6-cyano-3,4-dihydro-2,2-dimethyl-trans-4-(4-chlorobutyrylamino)-2H-benzo[blpyran 3-ol (IX).Finally,this compound is cyclized by means of NaH in THF.
📌 参考资料/链接:
参考文献标题:Antihypertensive chromenes and chromans
文献作者:Faruk,E.A.(SmithKline Beecham plc)
参考来源:EP 0093535; US 4510152

📄 详细内容


合成路线:1) The cyclization of 4-cyanophenol (I) with 3-chloro-3-methylbutine (II) by means of benzyltrimethylammonium hydroxide in methanol-CH2Cl2 gives 6-cyano-2,2-dimethyl-2H-benzo[b]pyran (III),which is treated with N-bromosuccinimide in DMSO to afford 6-cyano-trans-3-bromo-3,4-dihydro-2,2-dimethyl 2H benzo[b]pyran-4-ol (IV).Epoxidation of (IV) by means of NaOH in dioxane-water yields 6-cyano-3-(4-dihydro-3,4-epoxy-2,2-dimethyl-2H-benzo[b]pyran (V),which is finally treated with 4-aminobutyric acid (VI) and NaHCO3 in refluxing ethanol.2) By reaction of epoxide (V) with 2-pyrrolidone (X) by means of NaH in DMSO.

合成路线:The reaction of epoxide (V) with ammonia in ethanol gives 4-amino-6-cyano-3,4-dihydro-2,2-dimethyl-trans-2H-benzo[b]pyran-3-ol (VII),which is condensed with 4-chlorobutyryl chloride (VIII) by means of NaOH in CHCl3 yielding 6-cyano-3,4-dihydro-2,2-dimethyl-trans-4-(4-chlorobutyrylamino)-2H-benzo[blpyran 3-ol (IX).Finally,this compound is cyclized by means of NaH in THF.

参考文献标题:Benzopyrans
文献作者:Evans,J.M.; Buckingham,R.E.; Willcocks,K.(SmithKline Beecham plc)
参考来源:EP 0076075; JP 3014573; JP 5202034; US 4446113


合成路线:1) The cyclization of 4-cyanophenol (I) with 3-chloro-3-methylbutine (II) by means of benzyltrimethylammonium hydroxide in methanol-CH2Cl2 gives 6-cyano-2,2-dimethyl-2H-benzo[b]pyran (III),which is treated with N-bromosuccinimide in DMSO to afford 6-cyano-trans-3-bromo-3,4-dihydro-2,2-dimethyl 2H benzo[b]pyran-4-ol (IV).Epoxidation of (IV) by means of NaOH in dioxane-water yields 6-cyano-3-(4-dihydro-3,4-epoxy-2,2-dimethyl-2H-benzo[b]pyran (V),which is finally treated with 4-aminobutyric acid (VI) and NaHCO3 in refluxing ethanol.2) By reaction of epoxide (V) with 2-pyrrolidone (X) by means of NaH in DMSO.

合成路线:The reaction of epoxide (V) with ammonia in ethanol gives 4-amino-6-cyano-3,4-dihydro-2,2-dimethyl-trans-2H-benzo[b]pyran-3-ol (VII),which is condensed with 4-chlorobutyryl chloride (VIII) by means of NaOH in CHCl3 yielding 6-cyano-3,4-dihydro-2,2-dimethyl-trans-4-(4-chlorobutyrylamino)-2H-benzo[blpyran 3-ol (IX).Finally,this compound is cyclized by means of NaH in THF.
参考文献标题:BRL-34915
文献作者:Castar,J.; Mannhold,R.
参考来源:Drugs Fut 1986,11(3),175


产品链接: CAS No. 94470-67-4››