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【结 构 式】 
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【分子编号】25105 【品名】N-[4-(aminomethyl)benzyl]urea 【CA登记号】 |
【 分 子 式 】C9H13N3O 【 分 子 量 】179.22184 【元素组成】C 60.32% H 7.31% N 23.45% O 8.93% |
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：(IV)The reaction of Nomega'-nitro-D-arginine (I) with 2,2-diphenylacetyl chloride (II) by means of NaOH in THF/water gives the expected Nalpha-diphenylacetyl derivative (III), which is condensed with 4-(ureidomethyl)benzylamine (IV) by means of TBTU and DIEA in THF to yield the corresponding amide (V). Finally, this compound is hydrogenated with H2 over Pd/C in aqueous acetic acid in order to eliminate the Nomega'-nitro group and treated with trifluoroacetic acid to provide the target compound.
| 【1】 Engel, W.; Eberlein, W.; Rudolf, K.; Doods, H.; Wieland, H.-A.; Willim, K.-D.; Entzeroth, M.; Wienen, W. (Dr. Karl Thomae GmbH); Amino acid derivs., pharmaceutical compsns. containing these cpds. and processes for preparing them. DE 19544687; EP 0885186; WO 9719911 . |
| 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) | 25103 | N-omega'-nitro-D-arginine | C6H13N5O4 | 详情 | 详情 | |
| (II) | 23800 | Diphenylacetyl chloride; 2,2-diphenylacetyl chloride | 1871-76-7 | C14H11ClO | 详情 | 详情 |
| (III) | 25104 | N-alpha-(2,2-diphenylacetyl)-N-omega'-nitro-D-arginine | C20H23N5O5 | 详情 | 详情 | |
| (IV) | 25105 | N-[4-(aminomethyl)benzyl]urea | C9H13N3O | 详情 | 详情 | |
| (V) | 25106 | N-alpha-(2,2-diphenylacetyl)-N-omega'-nitro-N1-[4-(ureidomethyl)benzyl]-D-arginine | C29H34N8O5 | 详情 | 详情 |
Extended Information