|
【结 构 式】 
|
【分子编号】44314 【品名】methyl 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoate 【CA登记号】 |
【 分 子 式 】C10H11Br2NO3 【 分 子 量 】353.01028 【元素组成】C 34.02% H 3.14% Br 45.27% N 3.97% O 13.6% |
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：(I)Condensation between 3,5-dibromotyrosine methyl ester (I) and 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidine (II) in the presence of carbonyl ditriazole (CDT) furnished the asymmetric urea (III). Subsequent hydrolysis of the ester group using LiOH provided carboxylic acid (IV). This was finally coupled with N-phenylpiperazine (V) employing O-benzotriazolyl-N,N,N',N'-tetramethyluronium tetrafluoroborate and 1-hydroxybenzotriazole to yield the corresponding amide.
| 【1】 Eberlein, W.; Wienen, W.; Doods, H.; Rudolf, K.; Entzeroth, M.; Pieper, H.; Engel, W.; Hallermayer, G. (Dr. Karl Thomae GmbH); Modified aminoacids, pharmaceuticals containing these cpds. and methods for their production. JP 2000505100; WO 9811128 . |
| 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) | 44314 | methyl 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoate | C10H11Br2NO3 | 详情 | 详情 | |
| (II) | 12138 | 1-(4-Piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one; 4-(2-Keto-1-benzimidazolinyl)piperidine | 20662-53-7 | C12H15N3O | 详情 | 详情 |
| (III) | 44315 | methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-([[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl]amino)propanoate | C23H24Br2N4O5 | 详情 | 详情 | |
| (IV) | 44316 | 3,5-dibromo-4-hydroxy-N-[[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl]phenylalanine | C22H22Br2N4O5 | 详情 | 详情 | |
| (V) | 10756 | N-Phenylpiperazine; 1-Phenylpiperazine; Phenyl piperazine | 92-54-6 | C10H14N2 | 详情 | 详情 |
Extended Information