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【结 构 式】 
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【分子编号】51389 【品名】1-isothiocyanato-4-methylbenzene; 4-methylphenyl isothiocyanate 【CA登记号】 |
【 分 子 式 】C8H7NS 【 分 子 量 】149.21632 【元素组成】C 64.4% H 4.73% N 9.39% S 21.49% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(II)The title thioamide was prepared by condensation of the known 2-cyanomethyl-3-methyl-3H-imidazo[4,5-b]pyridine (I) with 4-tolyl isothiocyanate (II) in the presence of KOH.
| 【1】 Bukowski, L.; Some reactions of 2-cyanomethyl-3-methyl-3H-imidazo[4,5-b]pyridine with isothiocyanates. Antituberculotic activity of the obtained compounds. Pharmazie 2001, 56, 1, 23. |
合成路线2
该中间体在本合成路线中的序号：(IV)Condensation between ortho-anisidine (I) and benzonitrile (II) in the presence of NaNH2 furnishes N-(2-methoxyphenyl)benzamidine (III). Subsequent condensation of (III) with p-tolyl isothiocyanate (IV) produces the imidoyl thiourea (V). This is then oxidized by bromine in CHCl3 to form the target thiadiazolium salt.
| 【1】 Pan, K.; Scott, M.K.; Lee, D.H.S.; Fitzpatrick, L.J.; Crooke, J.J.; Rivero, R.A.; Rosenthal, D.I.; Vaidya, A.H.; Zhao, B.; Reitz, A.B.; 2,3-Diaryl-5-anilino[1,2,4]thiadiazoles as melanocortin MC4 receptor agonists and their effects on feeding behavior in rats. Bioorg Med Chem 2003, 11, 2, 185. |
| 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) | 25193 | 2-methoxyphenylamine; 2-methoxyaniline | 517-28-2 | C7H9NO | 详情 | 详情 |
| (II) | 25904 | benzonitrile | 100-47-0 | C7H5N | 详情 | 详情 |
| (III) | 65126 | N-(2-methoxyphenyl)benzenecarboximidamide | C14H14N2O | 详情 | 详情 | |
| (IV) | 51389 | 1-isothiocyanato-4-methylbenzene; 4-methylphenyl isothiocyanate | C8H7NS | 详情 | 详情 | |
| (V) | 65128 | N-[(Z)-(2-methoxyanilino)(phenyl)methylidene]-N'-(4-methylphenyl)thiourea | C22H21N3OS | 详情 | 详情 |
Extended Information