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【结 构 式】 
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【分子编号】53960 【品名】methyl 4-({[3-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-piperidinyl]amino}carbonyl)benzoate 【CA登记号】n/a |
【 分 子 式 】C24H30N2O5 【 分 子 量 】426.51268 【元素组成】C 67.59% H 7.09% N 6.57% O 18.76% |
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：(IV)The reaction of terephthalic acid monomethyl ester (I) with SOCl2 in dichloromethane gives the acyl chloride (II), which is condensed with 3-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-4-amine (III) by means of TEA in dichloromethane, yielding the corresponding amide (IV). The cyclization of (IV) by means of POCl3 in refluxing acetonitrile affords the benzo-naphthyridine (V), which is treated with diisopropylamine in methanol to provide the target diisopropyl carboxamide.
| 【1】 Gutterer, B.; Amschler, H.; Ulrich, W.-R.; Martin, T.; Bär, T.; Hatzelmann, A.; Sanders, K.; Beume, R.; Boss, H.; Häfner, D.; Kley, H.-P.; Goebel, K.-J. (Altana Pharma Deutschland GmbH ); Benzonaphthyridines as bronchial therapeutics. EP 0937074; JP 2001503442; US 6008215; WO 9821208 . |
| 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) | 43361 | 4-(methoxycarbonyl)benzoic acid | 1679-64-7 | C9H8O4 | 详情 | 详情 |
| (II) | 25029 | p-Phthalic acid monomethyl ester chloride; Terephthalic acid monomethyl ester chloride; Methyl 4-chlorocarbonylbenzoate | 7377-26-6 | C9H7ClO3 | 详情 | 详情 |
| (III) | 53959 | 3-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-piperidinamine; 3-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-piperidinylamine | n/a | C15H24N2O2 | 详情 | 详情 |
| (IV) | 53960 | methyl 4-({[3-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-piperidinyl]amino}carbonyl)benzoate | n/a | C24H30N2O5 | 详情 | 详情 |
| (V) | 53961 | methyl 4-[(4aS,10bR)-9-ethoxy-8-methoxy-2-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][1,6]naphthyridin-6-yl]benzoate | n/a | C24H28N2O4 | 详情 | 详情 |
| (VI) | 13565 | N-Isopropyl-2-propanamine; Bis(isopropyl)amine; N,N-Diisopropylamine | 108-18-9 | C6H15N | 详情 | 详情 |
Extended Information