抗肿瘤药物NSC-639829的合成

Synthesis of Antitumor Agent NSC-639829

摘要: 目的合成抗肿瘤药物NSC-639829。方法以4-氨基-2-甲基苯酚为起始原料，经亲核取代、异氰酸酯化合成4-(5-溴-2-嘧啶氧基)-3-甲基苯基异氰酸酯，再与2-二甲氨基苯甲酰胺缩合得目标化合物NSC-639829。结果目标化合物经质谱、核磁共振氢谱和元素分析确证其化学结构，经HPLC分析纯度达99.5%，总收率达40.2%。结论此工艺路线原料易得，产品收率高，操作安全，适用于工业化生产。

Abstract: OBJECTIVE To synthesize antitumor agent NSC-639829. METHODS NSC-639829 was prepared from 4-amino-2-methylphenol via nucleophilic substitution, isocyanation, and condensation. RESULTS The total yield of NSC-639829 was amount to 40.2% with the purity of 99.5% by HPLC, and its structure was confirmed by MS, 1H-NMR, and elemental analysis. CONCLUSION The synthetic route for NSC-639829 was convenient for industrial manufacture.