Aluminum trifluoromethanesulfonate

• Catalog Number: ACM74974611-1
• Product Name: Aluminum trifluoromethanesulfonate
• CAS: 74974-61-1
• Category: Organic Aluminium
• Synonyms: Aluminum triflate
• IUPAC Name: aluminum;trifluoromethanesulfonate
• Molecular Weight: 474.2
• Molecular Formula: C3AlF9O9S3
• Canonical SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Al+3]
• InChI: InChI=1S/3CHF3O3S.Al/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;+3/p-3
• InChI Key: FKOASGGZYSYPBI-UHFFFAOYSA-K
• Melting Point: 300 °C
• Appearance: Powder
• Application: Friedel-Crafts Reactions.; ; Aluminum trifluoromethanesulfonate has been used for the Friedel-Crafts alkylation reaction of toluene with isopropyl and tert-butyl chlorides (eq 1), and for theacylationofbenzeneandtoluenewithacetylandbenzoylchlo- rides in low to moderate yields. Intramolecular Friedel-Crafts acylation of an aromatic compound with Meldrum's acid has also been reported using catalytic amounts of Al(OTf) 3 . Acylation of 2-methoxynaphthalene with acetic anhydride has been reported using Al(OTf) 3 and lithium perchlorate as an additive to afford the corresponding 6-acetylated adduct in 83% yield. Effective acylation of arenes with carboxylic acids has also been disclosed using polystyrene-supported Al(OTf)3.
• Complexity: 145
• Covalently-Bonded Unit Count: 4
• Defined Atom Stereocenter Count: 0
• Exact Mass: 473.837612
• H-Bond Acceptor: 18
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 18
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 473.837612
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 197 Ų