Potassium hex-5-enoyltrifluoroborate
Product Information
Molecular Formula
C6H9BF3KO
Molecular Weight
204.04
Description
Potassium 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 hex-5-enoyltrifluoroborate, >=95%;
IUPAC Name
potassiumtrifluoro(hex-5-enoyl)boranuide
SMILES
[B-](C(=O)CCCC=C)(F)(F)F.[K+]
InChI
InChI=1S/C6H9BF3O.K/c1-2-3-4-5-6(11)7(8,9)10/h2H,1,3-5H2/q-1+1
InChI Key
MYBPWVISZFFGKF-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
≥95%
Safety Information
Hazards
H315 - H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
204.0335610 g/mol
Monoisotopic Mass
204.0335610 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
157
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
