5-Cyano-2-fluorobenzoic acid

CAS: 146328-87-2

Ref. 3D-FC41907

Product Information

• Name: 5-Cyano-2-fluorobenzoic acid
• Brand: Biosynth
• Description: 5-Cyano-2-fluorobenzoic acid is a macrocyclization agent that is used in the synthesis of 16-membered macrocycles. It is a nucleophilic reagent that reacts with an electrophile to form a 5,5'-bifluoro-2,2'-dioxodibenzofuranone. This reaction can be performed under mild conditions and proceeds via a 1,4-addition mechanism. The product has two stereogenic centers and four stereoisomers that are formed by the relative configuration of these centers. 5-Cyano-2-fluorobenzoic acid also has application in the clinic as an analogue for fluoroquinolones.

Chemical properties

• Molecular weight: 165.12 g/mol
• Formula: C₈H₄FNO₂
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/H3N/h1H3
• InChI key: InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
• SMILES: N#Cc1ccc(F)c(C(=O)O)c1