Phenolic compounds, Polyhalogenated

Determination of Polyhalogenated Phenolic Compounds in Drinking Water, Human Blood Serum and Adipose Tissue... 

Reactive, unstable compounds, as well as covalent binders, can be removed from screening collections by substructure searches [21, 22]. At Roche, a global team of experienced medicinal chemists has defined more than 100 functionalities which are reviewed at regular intervals. This list has been augmented by unwanted features (e.g., polyacids, alkyl aldehydes, polyhalogenated phenols, etc.) which are chemically unattractive starting points for a hit-to-lead optimization, because they often result in non-optimizable SAR patterns. These chemotypes have been coded into Markush-type substructures for automated detection and removal of unwanted compounds. However, we need to stress that these filters are fully customizable, and removed chemotypes can be restored if required. 

Direct oxidation of polyhalogenated aromatic compounds to phenols or quinones, or para-substituted phenols to quinones, is thought to occur by a variant of ipso-substitution. Pentaf-luorochlorobenzene is thus oxidized to tetraflu-... 

This short list, still remarkable for its simplicity, led inevitably to the organometallic compounds and polyhalogenated phenol derivatives — active ingredients which are both highly effective and highly persistent and which may indeed be termed biocides , since they are harmful not only to micro-organisms, but also to plants, insects, snails, fish and other organisms — in short, to all forms of life. 

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