【结 构 式】 |
【分子编号】34835 【品名】[4-(4-aminophenyl)-1-piperazinyl][(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methanone 【CA登记号】 |
【 分 子 式 】C24H31N3O3 【 分 子 量 】409.52856 【元素组成】C 70.39% H 7.63% N 10.26% O 11.72% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号:(IV)(S)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid (I) was coupled to N-(4-nitrophenyl)piperazine (II) via activation with 1,1'-carbonyldiimidazole to furnish the corresponding amide (III). Subsequent hydrogenation of the nitro group of (III) over Pd/C provided aniline (IV). This was finally condensed with S-methyl-2-thiophenethiocarboxamide (V) to yield the title amidine.
【1】 Chabrier de Lassauniere, P.-E.; Auguet, M.; Auvin, S.; Bigg, D. (SCRAS (Societé de Conseils de Recherches et d'Applications Scientifiques)); Novel 2-(iminomethyl)amino-phenyl derivs., preparation, application as medicines and pharmaceutical compsns. containing same. EP 0973763; WO 9842696 . |
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) | 34833 | (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene-2-carboxylic acid | C14H18O4 | 详情 | 详情 | |
(II) | 20299 | 1-(4-nitrophenyl)piperazine | 6269-89-2 | C10H13N3O2 | 详情 | 详情 |
(III) | 34834 | [(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl][4-(4-nitrophenyl)-1-piperazinyl]methanone | C24H29N3O5 | 详情 | 详情 | |
(IV) | 34835 | [4-(4-aminophenyl)-1-piperazinyl][(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methanone | C24H31N3O3 | 详情 | 详情 | |
(V) | 34836 | methyl 2-thiophenecarbimidothioate | C6H7NS2 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号:(IV)2-thiophenecarbonitrile (VI) was converted into imidate (VII) and then coupled with aniline (IV) in refluxing MeOH to give the title compound.
【1】 Chabrier de Lassauniere, P.-E.; Auguet, M.; Auvin, S.; Bigg, D. (SCRAS (Societé de Conseils de Recherches et d'Applications Scientifiques)); Novel 2-(iminomethyl)amino-phenyl derivs., preparation, application as medicines and pharmaceutical compsns. containing same. EP 0973763; WO 9842696 . |
中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
---|---|---|---|---|---|---|
(IV) | 34835 | [4-(4-aminophenyl)-1-piperazinyl][(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methanone | C24H31N3O3 | 详情 | 详情 | |
(VI) | 34025 | Thiophene-2-carbonitrile; 2-thiophenecarbonitrile | 1003-31-2 | C5H3NS | 详情 | 详情 |
(VII) | 34837 | methyl 2-thiophenecarboximidoate | C6H7NOS | 详情 | 详情 |
Extended Information