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【结 构 式】 
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【分子编号】44319 【品名】(2S)-2-(acetamido)-3-[3-formyl-4-(phosphonooxy)phenyl]propionic acid 【CA登记号】 |
【 分 子 式 】C12H14NO8P 【 分 子 量 】331.218862 【元素组成】C 43.52% H 4.26% N 4.23% O 38.64% P 9.35% |
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：(V)Alkylation of 2-(Boc-amino)caprolactam (I) with 4-(bromomethyl)biphenyl (II) in the presence of KOH and tetrabutylammonium iodide produced the N-(biphenylylmethyl) lactam (III). After Boc group cleavage with trifluoroacetic acid, the resulting amino lactam (IV) was coupled with the tyrosine derivative (V) using BOP to furnish the corresponding amide.
| 【1】 Mandine, E.; Baholet, I.; Deprez, P.; et al.; SAR and rational design of Src SH2 binders around a heterocyclic scaffold identification of RU84687, a subnanomolar and Src SH2 selective binder. 16th Int Symp Med Chem (Sept 18 2000, Bologna) 2000, Abst PA-17. |
| 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) | 42810 | L-(-)-N-alpha-Boc-amino-epsilon-caprolactam; tert-butyl (3S)-2-oxoazepanylcarbamate | 76944-95-1 | C11H20N2O3 | 详情 | 详情 |
| (II) | 31210 | 4-(bromomethyl)-1,1'-biphenyl | 2567-29-5 | C13H11Br | 详情 | 详情 |
| (III) | 44317 | tert-butyl (3S)-1-([1,1'-biphenyl]-4-ylmethyl)-2-oxoazepanylcarbamate | C24H30N2O3 | 详情 | 详情 | |
| (IV) | 44318 | (3S)-3-amino-1-([1,1'-biphenyl]-4-ylmethyl)-2-azepanone | C19H22N2O | 详情 | 详情 | |
| (V) | 44319 | (2S)-2-(acetamido)-3-[3-formyl-4-(phosphonooxy)phenyl]propionic acid | C12H14NO8P | 详情 | 详情 |
Extended Information