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【结 构 式】 
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【分子编号】20318 【品名】methyl 1-hydrazinecarbimidothioate hydroiodide 【CA登记号】 |
【 分 子 式 】C2H7N3S.HI 【 分 子 量 】233.07621 【元素组成】C 10.31% H 3.46% I 54.45% N 18.03% S 13.76% |
与该中间体有关的原料药合成路线共 3 条
合成路线1
该中间体在本合成路线中的序号：(II)The alkylation of thiosemicarbazide (I) with methyl iodide in hot ethanol gives the corresponding S-methyl derivative (II), which is treated with pentylamine (III) in refluxing methanol to yield N1-amino-N3-pentylguanidine hydroiodide (IV). Finally, this compound is condensed with 5-methoxy-1H-indole-3-carbaldehyde (V) by means of HCl in methanol.
| 【1】 Pfannkuche, H.-J.; Hoyer, D.; Mattes, H.; Klein, F.; Giger, R.; Gamse, R.; Kloppner, E.; Buchheit, K.-H.; The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. J Med Chem 1995, 38, 13, 2331. |
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【2】
Silvestre, J.S.; Graul, A.; Castañer, J.; Tegaserod Maleate |
| 【3】 Giger, R. K. A.; Mattes, H. (Novartis AG; Novartis Deutschland GmbH); Aminoguanidines. EP 0505322; US 5510353 . |
| 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) | 12954 | 1-Hydrazinecarbothioamide; Thiosemicarbazide | 79-19-6 | CH5N3S | 详情 | 详情 |
| (II) | 20318 | methyl 1-hydrazinecarbimidothioate hydroiodide | C2H7N3S.HI | 详情 | 详情 | |
| (III) | 15764 | amylamine; 1-pentanamine; pentylamine | 110-58-7 | C5H13N | 详情 | 详情 |
| (IV) | 20320 | N-pentyl-1-hydrazinecarboximidamide hydroiodide | C6H16N4.HI | 详情 | 详情 | |
| (V) | 20321 | 5-methoxy-1H-indole-3-carbaldehyde | 10601-19-1 | C10H9NO2 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(I)
| 【1】 Sundaram V, Gudipati S. Brahmeswararao Mandava VN, et al. 2006. Process for preparing highly pure tegaserod and tegaserod maleate. US 2006178519 |
合成路线3
该中间体在本合成路线中的序号： (II)
| 【1】 Buchheit KH, Gamse R, Giger R, et al. 1995. The serotonin 5-HT4 receptor. 2. structure-ractivity studies of the indole carbazimidamide class 0f agonists. J Med Chan, 38(13): 2331～2338 |
| 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) | 12954 | 1-Hydrazinecarbothioamide; Thiosemicarbazide | 79-19-6 | CH5N3S | 详情 | 详情 |
| (II) | 20318 | methyl 1-hydrazinecarbimidothioate hydroiodide | C2H7N3S.HI | 详情 | 详情 | |
| (IX) | 20321 | 5-methoxy-1H-indole-3-carbaldehyde | 10601-19-1 | C10H9NO2 | 详情 | 详情 |
| (III) | 15764 | amylamine; 1-pentanamine; pentylamine | 110-58-7 | C5H13N | 详情 | 详情 |
| (IV) | 20320 | N-pentyl-1-hydrazinecarboximidamide hydroiodide | C6H16N4.HI | 详情 | 详情 | |
| (V) | 66763 | 3-methyl-4-nitrophenol;4-Nitro-m-cresol | 2581-34-2 | C7H7NO3 | 详情 | 详情 |
| (VI) | 66764 | 4-methoxy-2-methyl-1-nitrobenzene;3-Methyl-4-nitroanisole;5-Methoxy-2-nitrotoluene | 5367-32-8 | C8H9NO3 | 详情 | 详情 |
| (VII) | 66765 | (E)-2-(5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine | C11H14N2O3 | 详情 | 详情 | |
| (VIII) | 25902 | 1H-Indol-5-yl methyl ether; 5-Methoxy-1H-indole; 5-Methoxyindole | 1006-94-6 | C9H9NO | 详情 | 详情 |
Extended Information