Potassium 3-thiophenoyltrifluoroborate
Product Information
Molecular Formula
C5H3BF3KOS
Molecular Weight
218.05
Description
Acyltrifluroborates (KATs) are bench, air, and moisture stable reagents for rapid, chemoselective amide bond formations with hydroxylamines. These amide bond forming reactions proceed under aqueous conditions, without the need for coupling reagents or protecting groups. This product was introduced in collaboration with the Bode Research Group.
Synonyms
Potassium trifluoro(thiophene-3-carbonyl)borate
IUPAC Name
potassiumtrifluoro(thiophene-3-carbonyl)boranuide
SMILES
[B-](C(=O)C1=CSC=C1)(F)(F)F.[K+]
InChI
InChI=1S/C5H3BF3OS.K/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3H/q-1+1
InChI Key
AYHFLEBMVIPIDI-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
217.9586820 g/mol
Monoisotopic Mass
217.9586820 g/mol
Topological Polar Surface Area
45.3Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
175
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
