The invention belongs to the field of organic synthesis and relates to a 2H-pyrazolo [3, 4-d] pyrimidine derivative (i.e., 2-(4-substituted phenyl)-4-chloro-2H-pyrazolo [3, 4-d] pyrimidine) and a synthetic method thereof. In the general structural formula of 2-(4-substituted phenyl)-4-chloro-2H-pyrazolo [3, 4-d] pyrimidine, R refers to hydrogen, alkyl, alkoxyl, halogen, cyan, nitro, carboxyl, ester group and the like; and tetrahydrofuran is adopts as solvent, 4-substituted phenylhydrazine reacts with 4, 6-(dichloro-pyrimidine)-5-methanal under the action of triethylamine, most solvent is vaporized after reaction completion, a crude product precipitates out as a solid by adding water, the crude product filtered out is recrystallized with absolute methanol, and then isomer is removed by a column separation method to obtain corresponding 2-(4-substituted phenyl)-4-chloro-2H-pyrazolo [3, 4-d] pyrimidine. The 2H-pyrazolo [3, 4-d] pyrimidine derivative is synthesized for the first time by selecting reasonable reaction conditions.