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【结 构 式】 
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【分子编号】63408 【品名】2,3,6-trifluorobenzonitrile 【CA登记号】136514-17-5 |
【 分 子 式 】C7H2F3N 【 分 子 量 】157.0948296 【元素组成】C 53.52% H 1.28% F 36.28% N 8.92% |
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：(I)Displacement of the 2-fluoro group in 2,3,6-trifluorobenzonitrile (I) with aqueous ammonia leads to 2-amino-3,6-difluorobenzonitrile (II). Addition of hydroxylamine to the nitrile (II) in the presence of NaOMe affords benzamidoxime (III). Subsequent catalytic hydrogenation of (III) over Raney nickel furnishes benzamidine (IV).
| 【1】 Tinker, A.C.; Beaton, H.G.; Boughton-Smith, N.; Cook, T.R.; Cooper, S.L.; Fraser-Rae, L.; Hallam, K.; Hamley, P.; McInally, T.; Nicholls, D.J.; Pimm, A.D.; Wallace, A.V.; 1,2-Dihydro-4-quinazolinamines: Potent, highly selective inhibitors of inducible nitric oxide synthase which show antiinflammatory activity in vivo. J Med Chem 2003, 46, 6, 913. |
| 【2】 Hamley, P.R.J.; Pimm, A.D.; Tinker, A.C.; Beaton, H.G.; McInally, T. (AstraZeneca plc); Pharmaceutically active quinazoline cpds.. EP 0858451; JP 1999513679; WO 9714686 . |
| 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) | 63408 | 2,3,6-trifluorobenzonitrile | 136514-17-5 | C7H2F3N | 详情 | 详情 |
| (II) | 63409 | 2-amino-3,6-difluorobenzonitrile | 190011-81-5 | C7H4F2N2 | 详情 | 详情 |
| (III) | 63410 | 2-amino-3,6-difluoro-N'-hydroxybenzenecarboximidamide | C7H7F2N3O | 详情 | 详情 | |
| (IV) | 63411 | 2-amino-3,6-difluorobenzenecarboximidamide | C7H7F2N3 | 详情 | 详情 |
Extended Information