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【结 构 式】 
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【分子编号】21141 【品名】sodium dicyanimide 【CA登记号】 |
【 分 子 式 】C2N3Na 【 分 子 量 】89.031988 【元素组成】C 26.98% N 47.2% Na 25.82% |
合成路线1
该中间体在本合成路线中的序号：(II)OPB-2045 can be obtained by several related ways: 1) The addition of 3,4-dichlorobenzylamine hydrochloride (I) to sodium dicyanamide (II) in refluxing acetonitrile gives 1-(3,4-dichlorobenzyl)-3-cyanoguanidine (III), which is then condensed with octylamine hydrochloride (IV) in refluxing mesitylene. 2) The treatment of S,S'-dimethyl(cyanoimino)dithiocarbonate (V) with aqueous ammonia and further reaction with 3,4-dichlorobenzylamine hydrochloride (I) yields intermediate (III), which is then condensed with (IV) as before. 3) By condensation of 3,4-dichlorobenzylamine hydrochloride (I) with 1-cyano-3-octylguanidine (VI) in refluxing mesitylene.
| 【1】 Kikuchi, M.; Ishikawa, H.; Yasumura, K.; Ohguro, K.; Tsubouchi, H.; Synthesis and structure-activity relationships of novel antiseptics. Bioorg Med Chem Lett 1997, 7, 13, 1721. |
| 【2】 Yasumura, K.; Kikuchi, M.; Ishikawa, H.; Ohguro, K.; Tsubouchi, H.; Synthesis and structure-activity relationships of new disinfectants. Symp Med Chem 1996, Abst 2-P-3. |
| 【3】 Sorbera, L.A.; Castañer, J.; OPB-2045. Drugs Fut 1999, 24, 2, 151. |
| 【4】 Ishikawa, H.; Yasumura, K.; Tsubouchi, H.; Higuchi, Y.; Tamaoka, H. (Otsuka Pharmaceutical Co., Ltd.); Biguanide derivs., manufacturing method thereof, and disinfectants containing the derivs.. EP 0507317 . |
| 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) | 21140 | (3,4-dichlorophenyl)methanamine hydrochloride | C7H8Cl3N | 详情 | 详情 | |
| (II) | 21141 | sodium dicyanimide | C2N3Na | 详情 | 详情 | |
| (III) | 21142 | N-cyano-N'-(3,4-dichlorobenzyl)guanidine | C9H8Cl2N4 | 详情 | 详情 | |
| (IV) | 21143 | 1-octanamine hydrochloride | 142-95-0 | C8H20ClN | 详情 | 详情 |
| (V) | 18174 | [[bis(methylsulfanyl)methylene]amino](nitrilo)methane | 10191-60-3 | C4H6N2S2 | 详情 | 详情 |
| (VI) | 21145 | N-cyano-N'-octylguanidine | C10H20N4 | 详情 | 详情 |