Description
Potassium chloromethyltrifluoroborate (CAS No. 1279123-64-6) is a highly specialized organoboron reagent with the molecular formula CH2BClF3K. This crystalline compound, classified as a potassium trifluoroborate salt, is widely utilized in advanced synthetic organic chemistry and cross-coupling reactions. Its unique structure, featuring a reactive chloromethyl group and a stable trifluoroborate anion, makes it an essential building block for nucleophilic substitutions, Suzuki-Miyaura couplings, and other transition-metal-catalyzed transformations. With a high purity grade (>95%), this reagent is rigorously tested for consistency, ensuring optimal performance in sensitive applications. Store in a cool, dry place under inert conditions to maintain stability.
Properties
- CAS Number: 1279123-64-6
- Complexity: 44.7
- IUPAC Name: potassium;chloromethyl(trifluoro)boranuide
- InChI: InChI=1S/CH2BClF3.K/c3-1-2(4,5)6;/h1H2;/q-1;+1
- InChI Key: LDOWKRWAPHPRAP-UHFFFAOYSA-N
- Exact Mass: 155.9527239
- Molecular Formula: CH2BClF3K
- Molecular Weight: 156.39
- SMILES: [B-](CCl)(F)(F)F.[K+]
- Monoisotopic Mass: 155.9527239
- Synonyms: 1279123-64-6, Potassium chloromethyltrifluoroborate, Potassium (chloromethyl)trifluoroborate, potassium;chloromethyl(trifluoro)boranuide, Borate(1-), (chloromethyl)trifluoro-, potassium (1:1), (T-4)-, MFCD11052821, POTASSIUM (CHLOROMETHYL)TRIFLUOROBORANUIDE, Potassium(chloromethyl)trifluoroborate, AKOS024462572, Potassium chloromethyl(trifluoro)boranuide, SY071347, DB-159836, A50012, EN300-211452
Application
Potassium chloromethyltrifluoroborate serves as a versatile reagent in palladium-catalyzed cross-coupling reactions, enabling the introduction of chloromethyl groups into complex organic frameworks. It is particularly valuable in pharmaceutical research for the synthesis of bioactive molecules and agrochemical intermediates. The compound’s stability and solubility in polar solvents make it ideal for controlled functionalization in medicinal chemistry.
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