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【结 构 式】 
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【分子编号】32644 【品名】(6R,7R)-3-[(acetoxy)methyl]-7-[[(2R)-2-[[(4-hydroxy-6-methyl-3-pyridinyl)carbonyl]amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 【CA登记号】 |
【 分 子 式 】C25H24N4O9S 【 分 子 量 】556.55312 【元素组成】C 53.95% H 4.35% N 10.07% O 25.87% S 5.76% |
合成路线1
该中间体在本合成路线中的序号：(III)The condensation of 7-[alpha-amino-alpha-(4-hydroxyphenyl)acetamido]cephalosporanic acid (I) with 4-hydroxy-6-methylpyridine-3-carboxylic acid N-hydroxysuccinimide ester (II) by means of triethylamine and sodium 2-ethylhexanoate in DMF chloromethaneethyl ether gives 7-[alpha-(4-hydroxy-6-methylpyridin-3-carboxamido)-alpha-(4-hydroxyphenyl)acetamido]cephalosporanic acid (III), which is then treated with 1-methyl-5-mercaptotetrazol (IV) and NaHCO3 in a phosphate buffer.
| 【1】 Yamada, H.; et al. (Sumitomo Chemical Co., Ltd.); N-acylamino-alpha-arylacetamido cephalosporins and antibacterial compositions and methods containing them. DE 2539664; ES 456652; FR 2283688; GB 1510730; US 4156724 . |
| 【2】 Leeson, P.A.; Serradell, M.N.; Castaner, J.; Mealy, N.E.; Blancafort, P.; SM-1652. Drugs Fut 1980, 5, 5, 254. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 32643 | (6R,7R)-3-[(acetoxy)methyl]-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C18H19N3O7S | 详情 | 详情 | |
| (II) | 32642 | 1-[[(4-hydroxy-6-methyl-3-pyridinyl)carbonyl]oxy]-2,5-pyrrolidinedione | C11H10N2O5 | 详情 | 详情 | |
| (III) | 32644 | (6R,7R)-3-[(acetoxy)methyl]-7-[[(2R)-2-[[(4-hydroxy-6-methyl-3-pyridinyl)carbonyl]amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C25H24N4O9S | 详情 | 详情 | |
| (IV) | 28420 | 5-Mercapto-1-methyl-1H-tetrazole; 1-Methyl-1H-1,2,3,4-tetraazol-5-ylhydrosulfide | 13183-79-4 | C2H4N4S | 详情 | 详情 |