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【结 构 式】 
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【分子编号】40327 【品名】methyl 2-(2,6-dichlorophenyl)acetate 【CA登记号】54551-83-6 |
【 分 子 式 】C9H8Cl2O2 【 分 子 量 】219.06672 【元素组成】C 49.35% H 3.68% Cl 32.37% O 14.61% |
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：(II)1) By methanolysis of 2,6-dichlorophenylacetonitrile (I) by means of H2SO4 to methyl 2,6-dichlorophenylacetate (II), which is then condensed with guanidine (A) in isopropanol. 2) By condensation of S-methylisothiourea (V) with 2,6-dichlorophenylacetyl chloride (VI) in acetone to afford S-methyl-N-(2,6-dichlorophenylacetyl)isothiourea (VII); this product is then treated with ammonia in isopropanol. 3) By condensation of 2,6-dichlorophenylacetic acid (VIII) with guanidine (A) in toluene.
| 【1】 Arrigoni-Martelli, E.; Castaner, J.; BS 100-141. Drugs Fut 1976, 1, 4, 167. |
| 【2】 Bream, J.B.; et al.; Substituted phenylacetylguanidines: A new class of antihypertensive agents. Arzneim-Forsch Drug Res 1975, 25, 10, 1477. |
| 【3】 Bream, J.B.; et al. (Novartis AG); Substituted phenylacethyl derivatives of guanidine, O-alkylisoureas, S-alkylisothioureas and p-benzylalkylisothioureas. DE 179348; FR 1584670; GB 1235723; US 3632645 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (A) | 14790 | Guanidine | 113-00-8 | CH5N3 | 详情 | 详情 |
| (I) | 18202 | 2-(2,6-dichlorophenyl)acetonitrile; 2,6-Dichlorophenylacetonitrile | 3215-64-3 | C8H5Cl2N | 详情 | 详情 |
| (II) | 40327 | methyl 2-(2,6-dichlorophenyl)acetate | 54551-83-6 | C9H8Cl2O2 | 详情 | 详情 |
| (V) | 10272 | [[Amino(imino)methyl]sulfanyl]methane | 2986-19-8 | C2H6N2S | 详情 | 详情 |
| (VI) | 40329 | 2-(2,6-dichlorophenyl)acetyl chloride | C8H5Cl3O | 详情 | 详情 | |
| (VII) | 40330 | 1,3-dichloro-2-(2-[[imino(methylsulfanyl)methyl]amino]-2-oxoethyl)benzene | C10H10Cl2N2OS | 详情 | 详情 | |
| (VIII) | 40328 | 2-(2,6-dichlorophenyl)acetic acid | 6575-24-2 | C8H6Cl2O2 | 详情 | 详情 |
Extended Information