Description

Potassium Trifluoro(3-methoxy-3-oxopropyl)boranuide (CAS: 1023357-63-2) is a high-purity organoboron compound with the molecular formula C₄H₇BF₃KO₂. This specialty chemical is widely used in synthetic organic chemistry, particularly in cross-coupling reactions such as Suzuki-Miyaura couplings, where it serves as a stable and efficient boron reagent. Its trifluoroborate moiety enhances solubility and reactivity, making it ideal for pharmaceutical and materials science research. The compound is supplied as a white to off-white crystalline powder, rigorously tested for purity (>98%) by HPLC and NMR. Store under inert conditions (argon or nitrogen) at 2-8°C to ensure long-term stability.

Applications include:

• Precursor for bioactive molecule synthesis
• Ligand in transition-metal catalysis
• Building block for functionalized polymers

Hazard Codes: Xi (Irritant) – Handle with appropriate PPE.

Properties

• CAS Number: 1023357-63-2
• Complexity: 127
• IUPAC Name: potassium;trifluoro-(3-methoxy-3-oxo-propyl)boranuide
• InChI: InChI=1S/C4H7BF3O2.K/c1-10-4(9)2-3-5(6,7)8;/h2-3H2,1H3;/q-1;+1
• InChI Key: NPWJZDRICBCMOK-UHFFFAOYSA-N
• Exact Mass: 194.0128256
• Molecular Formula: C4H7BF3KO2
• Molecular Weight: 194.00
• SMILES: [B-](CCC(=O)OC)(F)(F)F.[K+]
• Topological: 26.3
• Monoisotopic Mass: 194.0128256
• Synonyms: POTASSIUM TRIFLUORO(3-METHOXY-3-OXOPROPYL)BORANUIDE, 862-512-8, 1023357-63-2, POTASSIUM 3-TRIFLUOROBORATOPROPIONATE METHYL ESTER, Potassium trifluoro(3-methoxy-3-oxopropyl)borate, Potassium 3-trifluoroboratopropaonoate methyl ester, Borate(1-), trifluoro(3-methoxy-3-oxopropyl)-, potassium (1:1), (T-4)-, potassium;trifluoro-(3-methoxy-3-oxopropyl)boranuide, Potassium (3-methoxy-3-oxoprop-1-yl)trifluoroborate, Potassium [2-(methoxycarbonyl)ethyl]trifluoroborate, MFCD09992947, potassium ion trifluoro(3-methoxy-3-oxopropyl)boranuide, DTXSID40674901, ZB0225, AKOS006310086, CS-W004011, AC-33867, AS-72639, A50029, Potassiumtrifluoro(3-methoxy-3-oxopropyl)borate, EN300-7386019, Potassium trifluoro(3-methoxy-3-oxopropyl)borate(1-)

Potassium Trifluoro(3-methoxy-3-oxopropyl)boranuide is primarily employed in palladium-catalyzed Suzuki-Miyaura cross-coupling reactions to form C-C bonds in complex organic molecules. Its stability under aerobic conditions simplifies handling compared to boronic acids. Researchers utilize it in the synthesis of drug intermediates, agrochemicals, and advanced materials. The methoxycarbonyl group offers further functionalization opportunities via ester hydrolysis or reduction.

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.