N-[4-[4-(4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl)-1-piperazinyl]phenyl]-1-hydrazinecarboxamide -Drug Synthesis Database

【结构式】

【分子编号】29125

【品名】N-[4-[4-(4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl)-1-piperazinyl]phenyl]-1-hydrazinecarboxamide

【CA登记号】

【分子式】C₃₀H₃₂Cl₂N₈O₄

【分子量】639.541

【元素组成】C 56.34% H 5.04% Cl 11.09% N 17.52% O 10.01%

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：(X)

The reaction of (IX) with hydrazine is converted to the hydrazinecarboxamide (X). The cyclization of (X) with formamidine (XI) in hot DMF yields the substituted triazolone (XII), which is finally alkylated with 2-bromobutane (XIII) and KOH in DMSO.

参考文献中间体

合成目标

【1】 Van Cutsem, J.; Backx, L.J.J.; Heeres, J.; J. Antimycotic azoles. 7. Synthesis and antifungal properties of a series of novel triazol-3-ones. J Med Chem 1984, 27, 7, 894-900.
【2】 Castaner, J.; Serradell, M.N.; Fromtling, R.A.; Itraconazole. Drugs Fut 1985, 10, 4, 291.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(IX)	29124	phenyl 4-[4-(4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl)-1-piperazinyl]phenylcarbamate		C₃₆H₃₄Cl₂N₆O₅	详情	详情
(X)	29125	N-[4-[4-(4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl)-1-piperazinyl]phenyl]-1-hydrazinecarboxamide		C₃₀H₃₂Cl₂N₈O₄	详情	详情
(XI)	15369	Iminoformamide; Methanimidamide	463-52-5	CH₄N₂	详情	详情
(XII)	29126	4-[4-[4-(4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl)-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one		C₃₁H₃₀Cl₂N₈O₄	详情	详情
(XIII)	29127	2-bromobutane	78-76-2	C₄H₉Br	详情	详情

Extended Information