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分别在19种溶剂体系中合成了A3B型不对称卟啉化合物meso-5-对甲氧基苯基-10,15,20-三(对氯苯基)卟啉,并用密度泛函理论对其结构进行了优化,得到了稳定结构。研究发现,溶剂粘度、极性等性质对产物的收率具有重要影响,其中在N,N-二甲基甲酰胺(DMF)、二甲基亚砜(DMSO)等体系下无法得到产物,因其作为Lewis碱削弱了体系的酸性,阻碍反应的进行。在乙酸为溶剂的体系下,目标产物在总的卟啉化合物中的分布最高为28.8%。在丙酸与乙酸混合溶剂体系下,卟啉的总收率最高达32.4%,目标产物收率也达到最高6.6%。
The A3B asymmetric porphyrin compound meso-5-p-methoxyphenyl-10,15,20-tris (p-chlorophenyl) porphyrin was synthesized in 19 solvent systems, respectively, and its density functional theory The structure is optimized and a stable structure is obtained. It is found that the properties of solvent viscosity and polarity have an important influence on the yield of the product. The products can not be obtained under the systems of N, N-dimethylformamide (DMF) and dimethylsulfoxide (DMSO) Its use as a Lewis base weakens the acidity of the system and hinders the progress of the reaction. Under the system of acetic acid as solvent, the distribution of the target product in the total porphyrin was up to 28.8%. Under the mixed solvent system of propionic acid and acetic acid, the total yield of porphyrin is up to 32.4% and the yield of the target product is up to 6.6%.