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【结 构 式】

【分子编号】33588

【品名】4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one

【CA登记号】52883-26-8

【 分 子 式 】C6H11N3O

【 分 子 量 】141.17296

【元素组成】C 51.05% H 7.85% N 29.77% O 11.33%

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:(I)

Compound can be prepared in several different ways, all starting from 3,4-diethyl-DELTA2-1,2,4-triazolin-5-one (I): 1) The condensation of (I) with N-(3-bromopropyl)-N'-(m-chlorophenyl)piperazine (B) by means of NaNH2, NaH or sodium alcoholate in an organic solvent (DMSO, DMF, dioxane, benzene, alcohol, tetralin, etc.). 2) The condensation of (I) with 1-chloro-3-bromopropane (A) by means of sodium alcoholate in alcohol gives 1-(3-chloropropyl)-3,4-diethyl-DELTA2-1,2,4-triazolin-5-one (II), which is then condensed with an inert solvent by means of HCl acceptor. 3) The condensation of (II) with diethanolamine (C) affords 1-(3-bishydroxyethylaminopropyl)-3,4-diethyl-DELTA2-1,2,4-triazolin-5-one (III), which is then converted into the corresponding dichlorocompound (IV) by means of SOCl2. Finally, (IV) is cyclized with m-chloroaniline (E).

1 Palazzo, G.; 1-[3-(4-Metrachlorophenyl-1-piperazinyl)propyl]-3,4-diethyl-delta2-1,2,4-triazolin-5-one. DE 2351739; FR 2202702; GB 1438337; US 3857845 .
2 de Angelis, L.; Castaner, J.; Etoperidone. Drugs Fut 1977, 2, 3, 164.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(A) 10358 1-Bromo-3-chloropropane 109-70-6 C3H6BrCl 详情 详情
(E) 12034 4-Chlorophenylamine; 4-Chloroaniline; p-Chloroaniline 106-47-8 C6H6ClN 详情 详情
(D) 24273 2-[(2-hydroxyethyl)amino]-1-ethanol 111-42-2 C4H11NO2 详情 详情
(B) 33592 1-(3-bromopropyl)-4-(4-chlorophenyl)piperazine C13H18BrClN2 详情 详情
(I) 33588 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one 52883-26-8 C6H11N3O 详情 详情
(II) 33589 2-(3-chloropropyl)-4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one C9H16ClN3O 详情 详情
(III) 33591 2-[3-[bis(2-hydroxyethyl)amino]propyl]-4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one C13H26N4O3 详情 详情
(IV) 33590 2-[3-[bis(2-chloroethyl)amino]propyl]-4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one C13H24Cl2N4O 详情 详情
(C) 33593 1-(4-chlorophenyl)piperazine 38869-46-4 C10H13ClN2 详情 详情
Extended Information