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【结 构 式】 
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【分子编号】68873 【品名】3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4- methylbenzoic acid 【CA登记号】 |
【 分 子 式 】C16H11N3O2 【 分 子 量 】277.28236 【元素组成】C 69.31% H 4.00% N 15.15% O 11.54% |
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：(XIII)In a related way, Sonogashira coupling of 3-iodo-4-methylbenzoic acid (VII) with 3-ethynylimidazo[1,2-b]pyridazine (IX) in the presence of CuI, Pd(PPh3)4 and either Et3N in EtOAc or DIEA in DMF affords 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid (XIII). Finally, carboxylic acid (XIII) is chlorinated with (COCl)2 in the presence of NMM in CH2Cl2, followed by amidation with the aniline derivative (V) by means of DMAP at reflux .
| 【1】 Zou, D., Huang, W.-S., Thomas, R.M. et al. (Ariad Pharmaceuticals, Inc.).Bicyclic heteroaryl compounds. EP 1973545, JP 2009521462, US 2007191376, WO 2007075869. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (V) | 68866 | 4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline | 694499-26-8 | C13H18F3N3 | 详情 | 详情 |
| (VII) | 68868 | 3-iodo-4-methylbenzoic acid | C8H7IO2 | 详情 | 详情 | |
| (IX) | 68870 | 3-ethynylimidazo[1,2-b]pyridazine | C8H5N3 | 详情 | 详情 | |
| (XIII) | 68873 | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4- methylbenzoic acid | C16H11N3O2 | 详情 | 详情 |
Extended Information