Description

(Piperidinium-1-ylmethyl)trifluoroborate (CAS: 1268340-93-7) is a highly specialized organoboron compound with the molecular formula C₆H₁₃BF₃N. This trifluoroborate salt is widely utilized in advanced organic synthesis, particularly in cross-coupling reactions, due to its stability and reactivity as a boron-based reagent. The compound features a piperidinium-substituted methyl group bonded to a trifluoroborate anion, making it an excellent precursor for Suzuki-Miyaura couplings and other transition-metal-catalyzed transformations. With a purity grade suitable for research and industrial applications, this product is rigorously tested to ensure consistency and performance. It is supplied as a crystalline solid or powder, stored under inert conditions to maintain stability. Ideal for pharmaceutical, agrochemical, and materials science research, this reagent is a valuable tool for synthetic chemists seeking efficient and selective boron-based methodologies.

Properties

• CAS Number: 1268340-93-7
• Complexity: 119
• IUPAC Name: trifluoro(piperidin-1-ium-1-ylmethyl)boranuide
• InChI: InChI=1S/C6H12BF3N/c8-7(9,10)6-11-4-2-1-3-5-11/h1-6H2/q-1/p+1
• InChI Key: PFMNVTAJBBIDDU-UHFFFAOYSA-O
• Exact Mass: 167.1093141
• Molecular Formula: C6H13BF3N
• Molecular Weight: 166.98
• SMILES: [B-](C[NH+]1CCCCC1)(F)(F)F
• Topological: 4.4
• Monoisotopic Mass: 167.1093141
• Synonyms: (Piperidinium-1-ylmethyl)trifluoroborate, 689-898-9, 1268340-93-7, trifluoro(piperidin-1-ium-1-ylmethyl)boranuide, (Piperidinium-1-ylmethyl)trifluoroborate internal salt, trifluoro[(piperidin-1-ium-1-yl)methyl]boranuide, MFCD18071160, C6H13BF3N, DTXSID80692881, AKOS025402696, Borate(1-), trifluoro(1-piperidinylmethyl)-, hydrogen (1:1), (T-4)-, SB41151, AS-72211, P2287, T71669, Trifluoro[(piperidin-1-ium-1-yl)methyl]borate(1-), (Piperidinium-1-ylmethyl)trifluoroborate, internal salt

(Piperidinium-1-ylmethyl)trifluoroborate is primarily employed as a stable boronic acid surrogate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex biaryl and heteroaryl structures. Its applications extend to medicinal chemistry, where it serves as a key intermediate in the development of bioactive molecules and drug candidates. Researchers also utilize this compound in the preparation of advanced materials, such as organic semiconductors and liquid crystals, due to its robust reactivity under mild conditions.

Safety and Hazards

GHS Hazard Statements

• H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (97.7%)
• Eye Irrit. 2 (97.7%)
• STOT SE 3 (97.7%)

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