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【结 构 式】 
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【分子编号】54405 【品名】N-[6-(4-chlorophenoxy)hexyl]-N'-(4-pyridinyl)thiourea 【CA登记号】 |
【 分 子 式 】C18H22ClN3OS 【 分 子 量 】363.911 【元素组成】C 59.41% H 6.09% Cl 9.74% N 11.55% O 4.4% S 8.81% |
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：(V)The condensation of pyridin-4-ylamine (I) with the iminodithiocarbonate (II) by means of NaH in DMF gives the isothiourea (III), which is finally condensed with 6-(4-chlorophenoxy)hexylamine (IV) by means of TEA in pyridine. Alternatively, the target guanidine can also be obtained by condensation of N-[6-(4-chlorophenoxy)hexyl]-N'-(4-pyridyl)thiourea (V) with cyanamide by means of DCC and TEA in acetonitrile.
| 【1】 Schou, C.; et al.; Novel cyanoguanidines with potent oral antitumor activity. Bioorg Med Chem Lett 1997, 7, 24, 3095. |
| 【2】 Bramm, E.; Petersen, H.H.J. (Leo Pharmaceutical Products Ltd. A/S); N-Cyano-N'-pyridylguanidines as serotonin antagonists. EP 0660823; JP 1996501539; US 5563160; US 5696140; WO 9406770 . |
| 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) | 25661 | 4-pyridinamine; 4-aminopyridine | 5044-74-5 | C5H6N2 | 详情 | 详情 |
| (II) | 18174 | [[bis(methylsulfanyl)methylene]amino](nitrilo)methane | 10191-60-3 | C4H6N2S2 | 详情 | 详情 |
| (III) | 54403 | 4-{[(cyanoimino)(methylsulfanyl)methyl]amino}pyridine | C8H8N4S | 详情 | 详情 | |
| (IV) | 54404 | 6-(4-chlorophenoxy)-1-hexanamine; 6-(4-chlorophenoxy)hexylamine | C12H18ClNO | 详情 | 详情 | |
| (V) | 54405 | N-[6-(4-chlorophenoxy)hexyl]-N'-(4-pyridinyl)thiourea | C18H22ClN3OS | 详情 | 详情 |
Extended Information