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【结 构 式】 
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【分子编号】45941 【品名】N'-[3-acetyl-4-(cyclopropylmethoxy)phenyl]-N,N-diethylurea 【CA登记号】 |
【 分 子 式 】C17H24N2O3 【 分 子 量 】304.38924 【元素组成】C 67.08% H 7.95% N 9.2% O 15.77% |
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：(VI)The condensation of 4-ethoxyaniline (II) with N,N-diethylcarbamoyl chloride (II) by means of KHCO3 gives the urea (III), which is acylated with acetyl chloride and AlCl3 to yield N-(3-acetyl-4-hydroxyphenyl)-N',N'-diethylurea (IV). The alkylation of (IV) with epichlorohydrin (V) affords the adduct (VI), which is treated with HBr providing the bromoalcohol (VII). Finally this compound is treated with tert-butylamine to furnish the target urea.
| 【1】 Zolss, G.; On the synthesis of the cardioselective beta-adrenergic receptor blocking agent celiprolol. Arzneim-Forsch Drug Res 1983, 33, 1a, 2. |
| 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) | 45939 | 4-Aminophenetole; 1-Amino-4-ethoxybenzene; 4-Aminoethoxybenzene; 4-Ethoxyphenylamine; p-Phenetidine; 4-Ethoxyaniline | 156-43-4 | C8H11NO | 详情 | 详情 |
| (II) | 33816 | N,N'-Diethylcarbamoyl chloride; 1-[(chlorocarbonyl)(ethyl)amino]ethane | 88-10-8 | C5H10ClNO | 详情 | 详情 |
| (III) | 45940 | N'-(4-ethoxyphenyl)-N,N-diethylurea | C13H20N2O2 | 详情 | 详情 | |
| (IV) | 33817 | N'-(3-acetyl-4-hydroxyphenyl)-N,N-diethylurea | C13H18N2O3 | 详情 | 详情 | |
| (V) | 29776 | 1-(chloromethyl)cyclopropane | 5911-08-0 | C4H7Cl | 详情 | 详情 |
| (VI) | 45941 | N'-[3-acetyl-4-(cyclopropylmethoxy)phenyl]-N,N-diethylurea | C17H24N2O3 | 详情 | 详情 | |
| (VII) | 45942 | N'-[3-acetyl-4-(3-bromo-2-hydroxypropoxy)phenyl]-N,N-diethylurea | C16H23BrN2O4 | 详情 | 详情 | |
| (VIII) | 17895 | 2-Amino-2-methylpropane; tert-butylamine; 2-methyl-2-propanamine | 75-64-9 | C4H11N | 详情 | 详情 |
Extended Information