2-Fluorophenyl isocyanate

CAS: 16744-98-2

Ref. 3D-FF07777

Product Information

• Name: 2-Fluorophenyl isocyanate
• Synonyms: 1-Fluoro-2-Isocyanatobenzene, 1-Isocyanato-2-fluorobenzene, 2-Fluoro-1-isocyanatobenzene, 2-Fluoroisocyanatobenzene, 2-Flurophenyl isocyanate, Benzene, 1-fluoro-2-isocyanato-, Isocyanic acid, o-fluorophenyl ester, o-Fluorophenyl isocyanate

Description

2-Fluorophenyl isocyanate (2FPIC) is a hydrogen-bonding reagent used for the synthesis of isothiocyanates. 2FPIC reacts with amines to form reactive intermediates, which are then converted into isothiocyanates by reacting with carbon dioxide. The discovery of 2FPIC was made by Dr. Leonard W. Reifsnyder and his research group at the University of Illinois in Champaign-Urbana as part of a program to develop novel synthetic methods for obtaining biologically active compounds. X-ray crystal structures have been obtained for 2FPIC, and molecular docking analysis has been performed on 2FPIC and its reaction partners. 2FPIC has also been shown to be effective in biological studies involving sugar alcohols and palladium-catalyzed cross-coupling reactions with hydrogen bonds.

• Brand: Biosynth

Chemical properties

• Molecular weight: 137.11 g/mol
• Formula: C₇H₄FNO
• Purity: Min. 95%
• InChI: InChI=1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
• InChI key: InChIKey=VZNCSZQPNIEEMN-UHFFFAOYSA-N
• SMILES: O=C=Nc1ccccc1F