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【结 构 式】 
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【分子编号】47950 【品名】[3-(3,4-dichlorophenyl)-1-piperazinyl](3,5-dimethylphenyl)methanone 【CA登记号】 |
【 分 子 式 】C19H20Cl2N2O 【 分 子 量 】363.28608 【元素组成】C 62.82% H 5.55% Cl 19.52% N 7.71% O 4.4% |
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：(X)Regioselective coupling of the 2-arylpiperazine (IV) with 3,5-dimethylbenzoic acid (IX) at the less hindered N atom by means of EDC and HOBt afforded the 4-benzoyl piperazine (X). This was subsequently acylated with bromoacetyl bromide (XI) to yield the bromo amide (XII). Bromide displacement in (XII) with 4-amino-1-benzylpiperidine (XIII) then gave the title compound.
| 【1】 Shue, H.-J.; Shih, N.-Y.; Blythin, D.J.; Chen, X.; Tom, W.C.; Piwinski, J.J.; McCormick, K.D. (Schering Corp.); Piperazino derivs. as neurokinin antagonists. EP 0823906; US 5719156; WO 9634864 . |
| 【2】 Piwinski, J.J.; McCormick, K.D.; Shue, H.-J.; Chen, X.; Shih, N.-Y.; Blythin, D.J. (Schering Corp.); Piperazino derivs. as neurokinin antagonists. EP 0850236; JP 2000344766; US 5795894; US 5892039; WO 9708166 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IV) | 47946 | 2-(3,4-dichlorophenyl)piperazine | C10H12Cl2N2 | 详情 | 详情 | |
| (IX) | 26775 | 3,5-dimethylbenzoic acid | 499-06-9 | C9H10O2 | 详情 | 详情 |
| (X) | 47950 | [3-(3,4-dichlorophenyl)-1-piperazinyl](3,5-dimethylphenyl)methanone | C19H20Cl2N2O | 详情 | 详情 | |
| (XI) | 14005 | 2-Bromoacetyl bromide; Bromoacetyl bromide | 598-21-0 | C2H2Br2O | 详情 | 详情 |
| (XIII) | 34808 | 1-Benzyl-4-piperidinylamine; 1-Benzyl-4-piperidinamine; 4-Amino-1-benzylpiperidine | 50541-93-0 | C12H18N2 | 详情 | 详情 |
Extended Information