Atomfair Potassium 1-methyl-4-trifluoroboratomethylpiperazine C6H13BF3KN2 CAS 1015484-22-6

Description

Potassium 1-methyl-4-trifluoroboratomethylpiperazine (CAS No. 1015484-22-6) is a highly specialized organoboron compound with the molecular formula C₆H₁₃BF₃KN₂. This potassium salt features a trifluoroboratomethylpiperazine moiety, making it a valuable reagent in synthetic chemistry and pharmaceutical research. The compound is characterized by its high purity and stability, ensuring reliable performance in demanding applications. It is supplied as a crystalline solid and should be stored under inert conditions to maintain its integrity. Ideal for researchers exploring boron-containing intermediates, this product is a critical building block for the development of novel bioactive molecules and materials.

Properties

• CAS Number: 1015484-22-6
• Complexity: 147
• IUPAC Name: potassium;trifluoro-[(4-methylpiperazin-1-yl)methyl]boranuide
• InChI: InChI=1S/C6H13BF3N2.K/c1-11-2-4-12(5-3-11)6-7(8,9)10;/h2-6H2,1H3;/q-1;+1
• InChI Key: RPDOZRDOXQPQNX-UHFFFAOYSA-N
• Exact Mass: 220.0760946
• Molecular Formula: C6H13BF3KN2
• Molecular Weight: 220.09
• SMILES: [B-](CN1CCN(CC1)C)(F)(F)F.[K+]
• Topological: 6.5
• Monoisotopic Mass: 220.0760946
• Synonyms: 1015484-22-6, POTASSIUM 1-METHYL-4-TRIFLUOROBORATOMETHYLPIPERAZINE, Potassium trifluoro((4-methylpiperazin-1-yl)methyl)borate, Borate(1-), trifluoro[(4-methyl-1-piperazinyl)methyl]-, potassium (1:1), (T-4)-, potassium;trifluoro-[(4-methylpiperazin-1-yl)methyl]boranuide, Potassium trifluoro[(4-methylpiperazin-1-yl)methyl]borate, POTASSIUM TRIFLUORO[(4-METHYLPIPERAZIN-1-YL)METHYL]BORANUIDE, MFCD10700160, potassium,trifluoro-[(4-methylpiperazin-1-yl)methyl]boranuide, SCHEMBL1073037, DTXSID90670579, RPDOZRDOXQPQNX-UHFFFAOYSA-N, AKOS013014949, AS-79947, BP-10876, DB-058614, CS-0149507, I12318, Potassiumtrifluoro((4-methylpiperazin-1-yl)methyl)borate, potassium trifluoro[(4-methylpiperazin-1-yl)methyl]borate(1-)

Application

Potassium 1-methyl-4-trifluoroboratomethylpiperazine is widely used as a key intermediate in the synthesis of boron-containing pharmaceuticals and agrochemicals. Its trifluoroborate group enhances reactivity in Suzuki-Miyaura cross-coupling reactions, enabling the construction of complex organic frameworks. Researchers also employ this compound in the development of boron neutron capture therapy (BNCT) agents due to its potential in targeted cancer treatment. Additionally, it serves as a versatile precursor for the modification of piperazine-based scaffolds in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• 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, 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 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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