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861647-84-9

861647-84-9 Structure

861647-84-9 Structure
IdentificationBack Directory
[Name]

Quinofumelin
[CAS]

861647-84-9
[Synonyms]

Quinofumelin
Quinoline, 3-(4,4-difluoro-3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
[Molecular Formula]

C20H16F2N2
[MOL File]

861647-84-9.mol
[Molecular Weight]

322.35
Chemical PropertiesBack Directory
[Boiling point ]

419.7±45.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[pka]

3.85±0.12(Predicted)
Hazard InformationBack Directory
[Production Methods]

Quinofumelin is prepared through a short, convergent synthetic sequence that builds its fused quinoline–isoquinolinone framework. It begins with the construction of the difluoro substituted dihydroisoquinolinone fragment via cyclisation of a suitably substituted anilide under dehydrating conditions. In parallel, a halogenated quinoline precursor is generated through electrophilic substitution on a quinoline core. These two key fragments are then joined through a nucleophilic aromatic substitution that installs the isoquinolinone moiety onto the quinoline ring. Final steps involve purification, salt removal, and crystallisation to yield technical grade quinofumelin suitable for formulation.
[Mechanism of action]

Inhibits DHODH II (dihydroorotate dehydrogenase II)
[Pesticide Type]

Fungicide
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