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【结 构 式】 
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【分子编号】27606 【品名】ethyl (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[4-methoxy-2-[2-(methoxycarbonyl)-2-propenyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate 【CA登记号】 |
【 分 子 式 】C34H37NO7 【 分 子 量 】571.67032 【元素组成】C 71.44% H 6.52% N 2.45% O 19.59% |
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：(LXII)Hydrogenolysis of the benzyl ether of (LIX) and subsequent treatment with Tf2O gave aryl triflate (LX). Stille coupling reaction of (LX) with organotin reagent (LXI) produced unsaturated ester (LXII), which was then hydrogenated over Pd/C to give (LXIII). Basic hydrolysis of both ester groups of (LXIII) yielded the racemic diacid, which was finally resolved using quinidine.
| 【1】 Niiyama, K.; et al.; A potent, orally active, most balanced ETA/ETB dual endothelin receptor antagonist. Discovery of J-104132. 15th European Federation for Medicinal Chemistry International Symposium on Medicinal Chemistry (Sept 6 1998, Edinburgh) 1998, Abst P.297. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (LIX) | 27603 | ethyl (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-7-[2-(benzyloxy)-4-methoxyphenyl]-2-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate | C36H37NO6 | 详情 | 详情 | |
| (LX) | 27604 | ethyl (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-(4-methoxy-2-[[(trifluoromethyl)sulfonyl]oxy]phenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate | C30H30F3NO8S | 详情 | 详情 | |
| (LXI) | 27605 | methyl 2-[(tributylstannyl)methyl]acrylate | C17H34O2Sn | 详情 | 详情 | |
| (LXII) | 27606 | ethyl (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[4-methoxy-2-[2-(methoxycarbonyl)-2-propenyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate | C34H37NO7 | 详情 | 详情 | |
| (LXIII) | 27607 | ethyl (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[4-methoxy-2-[(2S)-3-methoxy-2-methyl-3-oxopropyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate | C34H39NO7 | 详情 | 详情 |
Extended Information