4-[4-[4-(4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydro-3-furanyl]methoxy]phenyl)-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one -Drug Synthesis Database

【结构式】

【分子编号】21194

【品名】4-[4-[4-(4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydro-3-furanyl]methoxy]phenyl)-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

【CA登记号】

【分子式】C₃₂H₃₂F₂N₈O₃

【分子量】614.6550064

【元素组成】C 62.53% H 5.25% F 6.18% N 18.23% O 7.81%

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：(III)

The synthesis of [14C]-SCH-56592 has been described: The cyclization of semicarbazide (I) with [14C]-formamidine (II) in hot 2-methoxyethanol gives the triazolone (III), which is condensed with the sulfonate (IV) by means of Cs2CO3 in hot DMF to yield the alkylated triazolone (V). Finally, this compound is deprotected by hydrogenation with formic acid over Pd/C in hot methanol to afford labeled SCH-56592.

参考文献中间体

合成目标

【1】 Magatti, C.V.; et al.; Synthesis of H-3-SCH 51048 and C-14-SCH 56592. J Label Compd Radiopharm 1998, 41, 8, 731.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	21192	N-[4-[4-(4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydro-3-furanyl]methoxy]phenyl)-1-piperazinyl]phenyl]-1-hydrazinecarboxamide	C₃₁H₃₄F₂N₈O₃	详情	详情
(II)	21193	iminoformamide	CH₄N₂	详情	详情
(III)	16351	4-[4-[4-(4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydro-3-furanyl]methoxy]phenyl)-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one	C₃₂H₃₂F₂N₈O₃	详情	详情
(III)	21194	4-[4-[4-(4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydro-3-furanyl]methoxy]phenyl)-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one	C₃₂H₃₂F₂N₈O₃	详情	详情
(IV)	21195	(1R,2S)-2-(benzyloxy)-1-ethylpropyl 4-bromobenzenesulfonate	C₁₈H₂₁BrO₄S	详情	详情
(V)	21196	2-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]-4-[4-[4-(4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydro-3-furanyl]methoxy]phenyl)-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one	C₄₄H₄₈F₂N₈O₄	详情	详情
(V)	34853	2-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]-4-[4-[4-(4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydro-3-furanyl]methoxy]phenyl)-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one	C₄₄H₄₈F₂N₈O₄	详情	详情
(VI)	21197	4-[4-[4-(4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydro-3-furanyl]methoxy]phenyl)-1-piperazinyl]phenyl]-2-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one	C₃₇H₄₂F₂N₈O₄	详情	详情

Extended Information