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【结 构 式】 
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【分子编号】55048 【品名】2-Chloro-4-fluorobenzaldehyde; 4-Fluoro-2-chlorobenzaldehyde 【CA登记号】84194-36-5 |
【 分 子 式 】C7H4ClFO 【 分 子 量 】158.5592632 【元素组成】C 53.03% H 2.54% Cl 22.36% F 11.98% O 10.09% |
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：(VIII)Knoevenagel condensation of 2-chloro-4-fluorobenzaldehyde (VIII) with methyl acetoacetate (IX) in the presence of piperidine acetate afforded the benzylidene compound (X). Cyclocondensation of (X) with amidine (VII) provided the racemic dihydropyrimidine (XI). Resolution of (XI) was accomplished either by chiral HPLC or via conversion to the diastereoisomeric salts with (-)-camphanic acid.
| 【2】 Paessens, A.; Stoltefuss, J.; Goldmann, S.; Niewohner, U.; Kramer, T.; Schlemmer, K.-H.; Weber, O.; Graef, E.; Lottmann, S.; Stolting, J.; Deres, K. (Bayer AG); Dihydropyrimidines and their use in the treatment of hepatitis B. WO 0058302 . |
| 【1】 Goldmann, S.; et al.; BAY 41-4109: A novel non-nucleosidic and highly potent inhibitor of human hepatitis B virus. Part 1: Synthesis and structure activity relationship (SAR). 41st Intersci Conf Antimicrob Agents Chemother (Dec 16 2001, Chicago) 2001, Abst F-1664. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (VII) | 55047 | 3,5-difluoro-N'-hydroxy-2-pyridinecarboximidamide | C6H5F2N3O | 详情 | 详情 | |
| (VIII) | 55048 | 2-Chloro-4-fluorobenzaldehyde; 4-Fluoro-2-chlorobenzaldehyde | 84194-36-5 | C7H4ClFO | 详情 | 详情 |
| (IX) | 11791 | methyl 3-oxobutanoate; Methyl acetoacetate | 105-45-3 | C5H8O3 | 详情 | 详情 |
| (X) | 55049 | methyl (Z)-2-acetyl-3-(2-chloro-4-fluorophenyl)-2-propenoate | C12H10ClFO3 | 详情 | 详情 | |
| (XI) | 55050 | methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridinyl)-6-methyl-1,4-dihydro-5-pyrimidinecarboxylate | C18H13ClF3N3O2 | 详情 | 详情 |
Extended Information