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【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