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【结 构 式】 
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【药物名称】 【化学名称】4-(4-Chlorophenyl)-1-(4-cyano-4,4-diphenylbutyl)-4-hydroxy-1-methylpiperidinium iodide 【CA登记号】 【 分 子 式 】C29H32ClIN2O 【 分 子 量 】586.94859 |
【开发单位】Berlex (Originator) 【药理作用】PHARMACOLOGICAL TOOLS, Chemokine CCR1 Antagonists |
合成路线1
Diphenylacetonitrile (I) was alkylated with 1,3-dibromopropane (II) in the presence of NaH in DMF to afford the bromopropyl derivative (III). Subsequent condensation of bromide (III) with 4-(4-chlorophenyl)-4-hydroxypiperidine (IV) gave the tertiary amine (V). This was then quaternized with methyl iodide to furnish the corresponding piperidinium salt.
| 【1】 May, K.; Bauman, J.G.; Ng, H.P.; et al.; Discovery of novel non-peptide CCR1 receptor antagonists. J Med Chem 1999, 42, 22, 4680. |
| 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) | 14493 | alpha-phenylbenzeneacetonitrile; 2,2-diphenylacetonitrile; Diphenylacetonitrile | 86-29-3 | C14H11N | 详情 | 详情 |
| (II) | 12581 | 1,3-Dibromopropane | 109-64-8 | C3H6Br2 | 详情 | 详情 |
| (III) | 43750 | 5-bromo-2,2-diphenylpentanenitrile | C17H16BrN | 详情 | 详情 | |
| (IV) | 35870 | 4-(4-chlorophenyl)-4-piperidinol; 4-(4-Chlorophenyl)-4-hydroxypiperidine | 39512-49-7 | C11H14ClNO | 详情 | 详情 |
| (V) | 43751 | 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2,2-diphenylpentanenitrile | C28H29ClN2O | 详情 | 详情 |
Extended Information