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Omeprazole, SAN-15, H-168/68, Mopral, Antra, Omepral, Omeprazon, Prilosec, Losec, Audazol, Zegerid, Omapren, Parizac, Nuclosina, Omez, Omepradex, Miol

奥美拉唑 奥美拉唑钠 Chemical Name: 5-Methoxy-2-(4-methoxy-3,5-dimethyl-2-pyridinylmethylsulfinyl)-1H-benzimidazole
CAS No. 73590-58-6, 95510-70-6 (Na salt)
项目整合开发状态: Launched-1988
项目研究机构: AstraZeneca (Originator), Dr. Reddy's Laboratories (Not Determined), Valeant (Not Determined), Ferrer (Licensee), Fujisawa (Licensee), Lacer (Licensee), Mitsubishi Pharma (Licensee), Vita (Licensee), Santarus (Formulation)
合成路线:The condensation of 5-methoxy-2-mercaptobenzimidazole (I) with 2-chloromethyl-3,5dimethyl-4-methoxypyridine (II) by means of NaOH in refluxing ethanol gives 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole (III),which is then oxidized with m-chloroperbenzoic acid (IV) in chloroform.Benzimidazole (I) is obtained by cyclization of 4-methoxy-o-phenylenediamine (V) with potassium ethylxanthate (VI).Pyridine (II) is obtained by reaction of 2-hydroxymethyl-3,5-dimethyl-4-methoxypyridine (VII) with SOCl2.

合成路线:Esomeprazole can be obtained by several related ways:1) The NaOH-mediated condensation of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine (II),obtained by reaction of the hydroxymethylpyridine (I) with SOCl2,with 5-methoxy-1H-benzimidazole-2-thiol (V),obtained by cyclization of 4-methoxy-o-phenylenediamine (III) with potassium ethylxanthate (IV),gives 5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethylsulfanyl)-1H-benzimidazole (VI),which is oxidized with m-chloroperbenzoic acid,yielding racemic omeprazole (VII).The optical resolution of (VII) can be performed by chiral chromatography using several different chiral stationary phases,or by stereoselective bioreduction of the undesired (+)-enantiomer with a purified preparation of DMSO reductase from Rhodobacter capsulatus DSM 938 that,after reversed phase HPLC separation of the reduced sulfanyl derivative (VI),affords an enantiomerically enriched (15:85) mixture of the (+)- and (-)-enantiomers.Finally,this mixture is submitted to chiral HPLC separation or fractional crystallization in either acetonitrile,2-butanone or acetone.(Scheme 27259801a)2) The asymmetric oxidation of the pro-chiral sulfide (VI) carried out by biooxidation with various microorganisms; among them,the best results (>99% e.e.) were obtained with Penicillium frequentans BPFC 386,Penicillium frequentans BPFC 585,and Brevibacterium praffinoliticum ATCC 21195.(Scheme 27259801a)3) The asymmetric oxidation of the pro-chiral intermediate (VI) performed with titanium(IV) isopropoxide and cumene hydroperoxide in the presence of (-)-diethyl D-tartrate and DIEA in toluene.Esomeprazole magnesium can be obtained by three different ways: i) by reaction of esomeprazole with magnesium sulfate heptahydrate in aqueous ammonia; ii) by reaction of esomeprazole with magnesium methoxide in methanol or iii) by reaction of esomeprazole sodium,obtained by treatment of esomeprazole with NaOH in 2-butanone,with hydrated magnesium chloride in water.
📌 参考资料/链接:
参考文献标题:Substd.pyridylsulfinylbenzimidazoles having gastric acid secretion properties,pharmaceutical preparations containing same,and intermediates for their preparation
文献作者:Junggren,U.K.; Sjtrand,S.E.(H鋝sle L鋕emedel AB)
参考来源:CA 1129417; EP 0005129; US 4255431

📄 详细内容


合成路线:An improved process for the synthesis of omeprazole has been developed that incorporates the oxidation of 5-methoxy-2-(4-methoxy-3,5-dimethyl-2-pyridylmethylsulfanyl)-1H-benzimidazole (I) by means of meta-chloroperbenzoic acid in ethyl acetate cooled below 0 C and keeping the temperature below 5 C during the addition of the oxidant.

参考文献标题:Improved process of synthesis of 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl-1H-benzimidazole
文献作者:Hafner Milac,N.; Jereb,D.(LEK Pharmaceutical and Chemical Co.)
参考来源:WO 0002876


合成路线:The deoxygenation of 3.5-dimethyl-4-nitropyridine N-oxide (I) gives the corresponding pyridine (II),which is treated with trimethylksilyl cyanide to yield 3,5-dimethyl-4-nitropyridine-2-carbonitrile (III).The hydrolysis of (III) affords the corresponding carboxylic acid (IV),which by a nucleophillic substitution of the NO2 group with sodium methoxide gives 4-methoxy-3,5-dimethylpyridine-2-carboxylic acid (V).The reduction of (V) with borane or LiAlH4 yields the carbinol (VI),which by reaction with SOCl2 is converted into the chloromethylpyridine (VII).The condensation of (VII) with 5-methoxy-1H-benzimidazole-2-thiol (VIII) by means of NaOH in refluxing water affords the thioether (IX),which is finally oxidized to the target sulfoxide by means of MCPBA or peracetic acid.

参考文献标题:Method for the synthesis of a benzimidazole cpd.
文献作者:Gustavsson,A.; K鋖lstr鰉,A.(AstraZeneca plc)
参考来源:JP 2000502101; WO 9722603


合成路线:The deoxygenation of 3.5-dimethyl-4-nitropyridine N-oxide (I) gives the corresponding pyridine (II),which is treated with trimethylksilyl cyanide to yield 3,5-dimethyl-4-nitropyridine-2-carbonitrile (III).The hydrolysis of (III) affords the corresponding carboxylic acid (IV),which by a nucleophillic substitution of the NO2 group with sodium methoxide gives 4-methoxy-3,5-dimethylpyridine-2-carboxylic acid (V).The reduction of (V) with borane or LiAlH4 yields the carbinol (VI),which by reaction with SOCl2 is converted into the chloromethylpyridine (VII).The condensation of (VII) with 5-methoxy-1H-benzimidazole-2-thiol (VIII) by means of NaOH in refluxing water affords the thioether (IX),which is finally oxidized to the target sulfoxide by means of MCPBA or peracetic acid.

参考文献标题:Method of omeprazole preparation
文献作者:Heleyov? K.; Gattnar,O.; Jezek,L.; Varga,I.; Stalmach,V.; Smahovsky,V.; Oremus,V.; Zlatoidsky,P.(Slovakofarma AS)
参考来源:WO 9809962


合成路线:The deoxygenation of 3.5-dimethyl-4-nitropyridine N-oxide (I) gives the corresponding pyridine (II),which is treated with trimethylksilyl cyanide to yield 3,5-dimethyl-4-nitropyridine-2-carbonitrile (III).The hydrolysis of (III) affords the corresponding carboxylic acid (IV),which by a nucleophillic substitution of the NO2 group with sodium methoxide gives 4-methoxy-3,5-dimethylpyridine-2-carboxylic acid (V).The reduction of (V) with borane or LiAlH4 yields the carbinol (VI),which by reaction with SOCl2 is converted into the chloromethylpyridine (VII).The condensation of (VII) with 5-methoxy-1H-benzimidazole-2-thiol (VIII) by means of NaOH in refluxing water affords the thioether (IX),which is finally oxidized to the target sulfoxide by means of MCPBA or peracetic acid.

参考文献标题:Improved method for synthesis
文献作者:Br鋘dstr鰉,A.E.(AstraZeneca plc)
参考来源:US 5386032; WO 9118895


合成路线:An improved process for the synthesis of omeprazole has been developed that incorporates the oxidation of 5-methoxy-2-(4-methoxy-3,5-dimethyl-2-pyridylmethylsulfanyl)-1H-benzimidazole (I) by means of magnesium monoperoxyphthalate (MMPP) in water cooled at -5 C to 0 C and keeping the temperature in this range during the addition of the oxidant.The oxidation can also be performed with the same oxidant in either water/toluene/methanol cooled at -5 C to -10 C,methanol/water cooled at -10 C,or dichloromethane cooled at 0 C to 4 C.

参考文献标题:Process for the preparation of antiulcer agents
文献作者:Weinstock,L.M.; Shinkai,I.; Hoerrner,R.S.; Liu,T.M.-H.; Amato,J.S.; Friedman,J.J.(Merck & Co.,Inc.)
参考来源:EP 0533264; US 5391752


合成路线:The reaction of ethyl 2-methylacetoacetate (X) with NH3 in ethanol in an autoclave at 80 C gives ethyl 3-amino-2-methylcrotonate (XI),which is cyclized with diethyl 2-methylmalonate (XII) yielding 2,4-dihydroxy-3,5,6-trimethylpyridine (XIII).The reaction of (XIII) with POCl3 at 150 C affords 2,4-dichloro-3,5,6-trimethylpyridine (XIV),which is partially dechlorinated with H2 over Pd/C in ethanol/H2SO4 giving 4-chloro-2,3,5-trimethylpyridine (XV).The reaction of (XV) with sodium methoxide in hot DMSO yields 4-methoxy-2,3,5-trimethylpyridine (XVI),which is oxidized with H2O2 in AcOH affording the corresponding N-oxide (XVIII).The reaction of (XVIII) with acetic anhydride in hot acetic acid provides the acetate ester (XIX),which is finally hydrolyzed in the usual way to the target intermediate the 4-methoxy-3,5-dimethylpyridine-2-methanol (VI).The intermediate 4-chloro-2,3,5-trimethylpyridine (XV),can be oxidized with H2O2 in AcOH as before to give the corresponding N-oxide (XVII),which is treated with sodium methoxide in DMSO/methanol affording the previously described 4-methoxy-2,3,5-trimethylpyridine N-oxide (XVIII).

参考文献标题:Chemical intermediates and method for their preparation
文献作者:Junek,H.; Mittelbach,M.; Schmidt,H.-W.; Uray,G.(H鋝sle L鋕emedel AB)
参考来源:EP 0226558


产品链接: CAS No. 73590-58-6››

产品链接: CAS No.95510-70-6››