摘要
为了对4，6-二羟基嘧啶的合成反应进行热力学分析，采用Benson和Joback基团贡献法，对丙二酸二甲酯和甲酰胺在甲醇钠溶液中制备4,6-二羟基嘧啶的过程的反应焓变△F、反应熵变△rS^0、反应吉布斯自由能变△rG^0及其平衡常数Kp进行了热力学估算。结果表明：△H^0〉0，反应为吸热反应；△rG^0〈0，此反应过程为自发过程；Kp随着温度的升高而增大。获得的数据可为4，6-二羟基嘧啶合成的进一步深入研究和工业生产提供参考。
The reaction heat△ rH^0, reaction entropy change △rS^0, Gibbs free energy change ArGO and equilibrium constant Kp for the synthesis of 4,6-dihydroxy pyrimidine by reaction of dimethyl malonate with formamide in sodium methoxide-methanol solution were calculated by Benson and Joback group contribution methods. The results showed that the reaction was endothermic （△rH^0〉0） and spontaneous （△rG^0〈0）, and Kp increased with the increase of temperature. The obtained thermodynamic data could be useful in further research on synthesis of 4,6-dihydroxy-pyrimidine and its industrial production.
出处
《天然气化工—C1化学与化工》
CAS
CSCD
北大核心
2012年第3期10-13,共4页
Natural Gas Chemical Industry
关键词
4
6-二羟基嘧啶
合成
基团贡献法
热力学分析
4,6-dihydroxy pyrimidine
synthesis
group contribution method
thermodynamic analysis
