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【结 构 式】 
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【分子编号】52535 【品名】ethyl 2-[2-(3,5-dimethylphenyl)-3-(1-methyl-2-{[2-(4-pyridinyl)ethyl]amino}ethyl)-1H-indol-5-yl]-2-methylpropanoate 【CA登记号】 |
【 分 子 式 】C32H39N3O2 【 分 子 量 】497.68068 【元素组成】C 77.23% H 7.9% N 8.44% O 6.43% |
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：(XXV)In an alternative procedure, tryptamine (XIII) was acylated with 4-pyridylacetic acid (XXIII) to afford amide (XXIV), which was further reduced to the secondary amine (XXV) with borane in THF. Ester group hydrolysis in (XXV), followed by coupling of the resultant acid (XXVI) with isoquinuclidine (XVI), furnished the target amide.
| 【1】 Ashton, W.T.; et al.; Orally, bioavailable, indole-based nonpeptide GnRH receptor antagonists with high potency and functional activity. Bioorg Med Chem Lett 2001, 11, 19, 2597. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XIII) | 52525 | ethyl 2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methylpropanoate | C25H32N2O2 | 详情 | 详情 | |
| (XVI) | 52528 | 2-azabicyclo[2.2.2]octane | C7H13N | 详情 | 详情 | |
| (XXIII) | 17883 | 2-(4-pyridinyl)acetic acid | 28356-58-3 | C7H7NO2 | 详情 | 详情 |
| (XXIV) | 52537 | ethyl 2-[2-(3,5-dimethylphenyl)-3-(1-methyl-2-{[2-(4-pyridinyl)acetyl]amino}ethyl)-1H-indol-5-yl]-2-methylpropanoate | C32H37N3O3 | 详情 | 详情 | |
| (XXV) | 52535 | ethyl 2-[2-(3,5-dimethylphenyl)-3-(1-methyl-2-{[2-(4-pyridinyl)ethyl]amino}ethyl)-1H-indol-5-yl]-2-methylpropanoate | C32H39N3O2 | 详情 | 详情 | |
| (XXVI) | 52536 | 2-[2-(3,5-dimethylphenyl)-3-(1-methyl-2-{[2-(4-pyridinyl)ethyl]amino}ethyl)-1H-indol-5-yl]-2-methylpropanoic acid | C30H35N3O2 | 详情 | 详情 |
Extended Information