Description
Potassium (tert-butoxymethyl)trifluoroborate (CAS No. 910251-10-4) is a highly specialized organoboron compound with the molecular formula C5H11BF3KO. This reagent is widely utilized in advanced organic synthesis, particularly in cross-coupling reactions, due to its stability and reactivity under mild conditions. Its IUPAC name, potassium;trifluoro-[(2-methylpropan-2-yl)oxymethyl]boranuide, reflects its precise chemical structure. The compound is available in high purity grades, ensuring optimal performance for researchers in pharmaceutical, agrochemical, and materials science applications. Proper storage under inert conditions is recommended to maintain its integrity.
Properties
- CAS Number: 910251-10-4
- Complexity: 109
- IUPAC Name: potassium;tert-butoxymethyl(trifluoro)boranuide
- InChI: InChI=1S/C5H11BF3O.K/c1-5(2,3)10-4-6(7,8)9;/h4H2,1-3H3;/q-1;+1
- InChI Key: XBEPCFNGTDJTIY-UHFFFAOYSA-N
- Exact Mass: 194.0492111
- Molecular Formula: C5H11BF3KO
- Molecular Weight: 194.05
- SMILES: [B-](COC(C)(C)C)(F)(F)F.[K+]
- Topological: 9.2
- Monoisotopic Mass: 194.0492111
- Synonyms: Potassium (tert-butoxymethyl)trifluoroborate, 687-338-8, 910251-10-4, POTASSIUM TERT-BUTOXYMETHYLTRIFLUOROBORATE, MFCD11505924, potassium;trifluoro-[(2-methylpropan-2-yl)oxymethyl]boranuide, SCHEMBL2370802, DTXSID80670583, XBEPCFNGTDJTIY-UHFFFAOYSA-N, AKOS013015194, AS-81982, SY065897, Potassium(tert-butoxymethyl)trifluoroborate, DB-343997, CS-0154664, H12034, Potassium (tert-butoxymethyl)trifluoroborate, 95%, Potassium (tert-butoxymethyl)(trifluoro)borate(1-)
Application
Potassium (tert-butoxymethyl)trifluoroborate is a versatile reagent in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds with high efficiency. It is particularly valuable in the synthesis of complex organic molecules, including pharmaceuticals and fine chemicals. The compound’s stability in air and moisture makes it a preferred choice for researchers seeking reliable and reproducible results. Its applications extend to the development of novel materials and catalysts in industrial chemistry.
Safety and Hazards
GHS Hazard Statements
- H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statements
- P264, P270, P301+P317, P330, and P501
Hazard Classes and Categories
- Acute Tox. 4 (97.6%)
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