Description

Potassium (1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)trifluoroboranuide (CAS: 1684443-00-2) is a high-purity organoboron compound with the molecular formula C₉H₁₆BF₃KNO₂. This advanced synthetic intermediate features a tert-butoxycarbonyl (Boc)-protected pyrrolidine ring coupled with a potassium trifluoroborate moiety, making it an exceptionally versatile building block for pharmaceutical research and peptide chemistry. The compound’s IUPAC name is potassium;trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boranuide. With a molecular weight of 273.14 g/mol, it is supplied as a stable, crystalline solid under inert conditions to ensure optimal shelf life. Ideal for Suzuki-Miyaura cross-coupling reactions, this reagent offers excellent solubility in polar organic solvents while maintaining compatibility with air- and moisture-sensitive protocols. Each batch undergoes rigorous QC testing (HPLC, NMR) to guarantee ≥95% purity for demanding synthetic applications.

Properties

• CAS Number: 1684443-00-2
• Complexity: 280
• IUPAC Name: potassium;(1-tert-butoxycarbonylpyrrolidin-2-yl)-trifluoro-boranuide
• InChI: InChI=1S/C9H16BF3NO2.K/c1-9(2,3)16-8(15)14-6-4-5-7(14)10(11,12)13;/h7H,4-6H2,1-3H3;/q-1;+1
• InChI Key: JBFYSJLNBGRRCG-UHFFFAOYSA-N
• Exact Mass: 277.0863249
• Molecular Formula: C9H16BF3KNO2
• Molecular Weight: 277.14
• SMILES: [B-](C1CCCN1C(=O)OC(C)(C)C)(F)(F)F.[K+]
• Topological: 29.5
• Monoisotopic Mass: 277.0863249
• Synonyms: 1684443-00-2, potassium {1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}trifluoroboranuide, Potassium (1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)trifluoroboranuide, 889-898-0, Potassium 1-N-Boc-pyrrolidin-2-yltrifluoroborate, Potassium (1-(tert-butoxycarbonyl)pyrrolidin-2-yl)trifluoroborate, potassium;trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boranuide, JSC44300, MFCD22684714, AT22172, DB-173222, EN300-7424396, Potassium(1-(tert-butoxycarbonyl)pyrrolidin-2-yl)trifluoroborate

Application

This potassium trifluoroborate derivative serves as a critical precursor in medicinal chemistry for the synthesis of N-Boc-protected pyrrolidine scaffolds, which are widely used in protease inhibitor development. The trifluoroborate group enhances stability while retaining reactivity in palladium-catalyzed cross-couplings, particularly for constructing chiral centers in drug candidates. Researchers utilize it in fragment-based drug discovery and as a handle for late-stage functionalization of bioactive molecules.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.