This review describes the development of molecularly imprinted materials for selective separation and/or concentration of environmental pollutants, the quantitative concentration of which is usually difficult to determine because of their low level of concentration and existence of a large number of contaminants in environmental water. The fragment imprinting technique allowed for the selective separation of endocrine disrupters and halogenated aromatic compounds, including bisphenol A, and chlorinated/brominated aromatic compounds by the specific structural recognition based on the breeds, position, and number of the substituents. Also, the interval immobilization technique provided the specific materials enabling selective concentration based on the interval recognition of ionic functional groups in the targeting compounds, so that the effective determinations were achieved for natural toxins and pharmaceuticals in environmental water. Additionally, a selective photodegradation of toxins and a stimulus responsible hydrogel by the similar molecular recognition ability were successfully carried out. We have summarized these techniques including our recent studies.