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【结 构 式】 
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【分子编号】14202 【品名】4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile 【CA登记号】 |
【 分 子 式 】C10H8N4 【 分 子 量 】184.20048 【元素组成】C 65.21% H 4.38% N 30.42% |
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：(III)Reaction of 4-bromomethylbenzonitrile (I) with 1,2,4-triazole (II) in chloroform - acetonitrile gives 1-(4-cyanophenyl)methyl-1,2,4-triazole (III), which is treated with potassium tert-butoxide and 4-fluorobenzonitrile (IV) in DMF.
| 【1】 Bowman, R.M.; Steele, R.E.; Browne, L.J. (Novartis AG); Alpha-heterocycle substd. Tolunitriles. EP 0236940; JP 1987212369 . |
| 【2】 Graul, A.; Castaner, J.; Prous, J.; Letrozole. Drugs Fut 1994, 19, 4, 335. |
| 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) | 14132 | 4-Chloro-1H-pyrazole | 15878-00-9 | C3H3ClN2 | 详情 | 详情 |
| (I) | 14200 | 4-(Bromomethyl)benzonitrile; alpha-Bromo-p-tolunitrile | 17201-43-3 | C8H6BrN | 详情 | 详情 |
| (II) | 13135 | 1H-1,2,4-Triazole; 1,2,4-Triazole | 288-88-0 | C2H3N3 | 详情 | 详情 |
| (III) | 14202 | 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile | C10H8N4 | 详情 | 详情 | |
| (IV) | 14144 | 4-Fluorobenzonitrile | 1194-02-1 | C7H4FN | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(I)MPV-2213ad was synthesized by condensation of 4-(1,2,4-triazol-1-ylmethyl)benzonitrile (I) with 2-(4-fluorophenyl)acetaldehyde (II) by means of butyllithium in THF. The two diastereomeric racemates are separated by flash chromatography.
| 【1】 Silvestre, J.S.; Castañer, J.; Sorbera, L.A.; MPV-2213ad. Drugs Fut 1998, 23, 10, 1071-1074. |
| 【2】 Karjalainen, A.J.; Sodervall, M.-L.; Kalapudas, A.M.; Pelkonen, R.O.; Laine, A.M.; Lammintausta, R.A.S.; Salonen, J.S. (Orion Corporation); Cyanobenzyl heterocyclic aromatase-inhibiting cpds.. GB 2273704; JP 1996504424; US 5703109; US 5962495; WO 9413645 . |
Extended Information