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【结 构 式】 
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【分子编号】54688 【品名】4-fluorobenzonitrile 【CA登记号】 |
【 分 子 式 】C7H4FN 【 分 子 量 】121.1139032 【元素组成】C 69.42% H 3.33% F 15.69% N 11.56% |
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：(II)The reaction of 4-iodofluorobenzene (I) with 14C-labeled potassium cyanide and CuI in DMF at 160 C gives the labeled 4-fluorobenzonitrile (II), which is hydrolyzed with KOH in ethanol/water at 115 C to yield labeled 4-fluorobenzoic acid (III). Finally, this compound is condensed with (3R,4S)-6-acetyl-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-amine (IV) by means of EDC and HOBT in dichloromethane to afford the target labeled compound.
| 【1】 Herdon, H.J.; Jerman, J.C.; Chan, W.N. (GlaxoSmithKline plc); Novel receptor. JP 1998511083; US 5985334; WO 9618650 . |
| 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) | 54686 | 1-Fluoro-4-iodobenzene; 4-Fluoroiodobenzene; 4-Iodofluorobenzene; p-Fluoroiodobenzene | 352-34-1 | C6H4FI | 详情 | 详情 |
| (II) | 14144 | 4-Fluorobenzonitrile | 1194-02-1 | C7H4FN | 详情 | 详情 |
| (II) | 54688 | 4-fluorobenzonitrile | C7H4FN | 详情 | 详情 | |
| (III) | 54687 | 4-Fluorobenzoic acid | 456-22-4 | C7H5FO2 | 详情 | 详情 |
| (III) | 54689 | 4-fluorobenzoic acid | C7H5FO2 | 详情 | 详情 | |
| (IV) | 28708 | 1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl]-1-ethanone | C13H17NO3 | 详情 | 详情 |
Extended Information