Potassium hex-5-enoyltrifluoroborate

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Molecular Formula:

C6H9BF3KO

Molecular Weight:

204.04

CAS Number:

1370291-66-9

Catalog Number:

1370291-66-9

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

204.0335610 g/mol

Monoisotopic Mass

204.0335610 g/mol

Topological Polar Surface Area

17.1Å²

Heavy Atom Count

Formal Charge

Complexity

157

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Potassium hex-5-enoyltrifluoroborate

Product Information

Safety Information

Computed Properties

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