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【结 构 式】 
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【分子编号】32219 【品名】1-(2-chloroethyl)-4-ethyl-1,4-dihydro-5H-1,2,3,4-tetraazol-5-one 【CA登记号】 |
【 分 子 式 】C5H9ClN4O 【 分 子 量 】176.60552 【元素组成】C 34.01% H 5.14% Cl 20.07% N 31.72% O 9.06% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(V)The cyclization of ethyl isocyanate (I) with sodium azide (II) by means of AlCl3 in refluxing THF gives 1-ethyl-1,4-dihydro-5H-tetrazol-5-one (III), which is alkylated with 1-chloro-2-bromoethane (IV) by means of Na2CO3 and KI in refluxing 4-methyl-2-pentanone to afford 1-ethyl-4-(2-chloroethyl)-1,4-dihydro-5H-tetrazol-5-one (V). Finally, this compound is condensed with N-(4-methoxymethyl-4-piperidinyl)propionanilide (VI) by means of Na2CO4 - KI in refluxing 4-methyl-2-pentanone.
| 【1】 Janssen, F. (Janssen Pharmaceutica NV); N-Phenyl-N-(4-piperidinyl)amides. DE 2819873; ES 469473; FR 2389622; GB 1598872; JP 53149980 . |
| 【2】 Castaner, J.; Leeson, P.A.; Blancafort, P.; Mealy, N.E.; Serradell, M.N.; Alfentanil hydrochloride. Drugs Fut 1981, 6, 6, 335. |
| 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) | 28738 | ethyl isocyanate | 109-90-0 | C3H5NO | 详情 | 详情 |
| (III) | 32218 | 1-ethyl-1,4-dihydro-5H-1,2,3,4-tetraazol-5-one | 69048-98-2 | C3H6N4O | 详情 | 详情 |
| (IV) | 24271 | 1-bromo-2-chloroethane | 107-04-0 | C2H4BrCl | 详情 | 详情 |
| (V) | 32219 | 1-(2-chloroethyl)-4-ethyl-1,4-dihydro-5H-1,2,3,4-tetraazol-5-one | C5H9ClN4O | 详情 | 详情 | |
| (VI) | 32220 | N-[4-(methoxymethyl)-4-piperidinyl]-N-phenylpropanamide | C16H24N2O2 | 详情 | 详情 |
Extended Information