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【结 构 式】

【分子编号】48161

【品名】ethyl 5-(5-[4-[[(2S,5R)-4-allyl-2,5-dimethylpiperazinyl](1H-1,2,3-benzotriazol-1-yl)methyl]phenyl]-2H-1,2,3,4-tetraazol-2-yl)pentanoate

【CA登记号】

【 分 子 式 】C30H39N9O2

【 分 子 量 】557.69912

【元素组成】C 64.61% H 7.05% N 22.6% O 5.74%

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:(VIII)

The condensation between aldehyde (VII), piperazine (III) and benzotriazole furnished adduct (VIII). The Grignard reagent (X), prepared by silylation of 3-bromophenol (IX) followed by reaction with Mg, was then condensed with the benzotriazolyl adduct (VIII) to give the (diarylmethyl)piperazine (XI). Finally, basic hydrolysis of the ethyl ester of (XI) yielded the title compound.

1 Maw, G.N. (Pfizer Inc.); Anti-inflammatory piperazinyl-benzyl-tetrazole derivs. and intermediates thereof. EP 0983251; JP 2000513024; WO 9852929 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(III) 20690 (2R,5S)-1-allyl-2,5-dimethylpiperazine C9H18N2 详情 详情
(VII) 48160 ethyl 5-[5-(4-formylphenyl)-2H-1,2,3,4-tetraazol-2-yl]pentanoate C15H18N4O3 详情 详情
(VIII) 48161 ethyl 5-(5-[4-[[(2S,5R)-4-allyl-2,5-dimethylpiperazinyl](1H-1,2,3-benzotriazol-1-yl)methyl]phenyl]-2H-1,2,3,4-tetraazol-2-yl)pentanoate C30H39N9O2 详情 详情
(IX) 20704 3-bromophenol 591-20-8 C6H5BrO 详情 详情
(X) 48162 bromo[3-[(trimethylsilyl)oxy]phenyl]magnesium C9H13BrMgOSi 详情 详情
(XI) 48163 ethyl 5-(5-[4-[(R)-[(2S,5R)-4-allyl-2,5-dimethylpiperazinyl](3-hydroxyphenyl)methyl]phenyl]-2H-1,2,3,4-tetraazol-2-yl)pentanoate C30H40N6O3 详情 详情
Extended Information