Description

Potassium (4-tert-butoxycarbonylpiperazin-1-yl)methyltrifluoroborate (CAS No. 936329-97-4) is a highly specialized organoboron compound with the molecular formula C₁₀H₁₉BF₃KN₂O₂. This potassium trifluoroborate salt features a tert-butoxycarbonyl (BOC)-protected piperazine moiety, making it a valuable intermediate in organic synthesis and medicinal chemistry. Its unique structure enhances stability while retaining reactivity in cross-coupling reactions, such as Suzuki-Miyaura couplings. The compound is supplied as a high-purity solid, rigorously tested for quality via NMR, HPLC, and elemental analysis. Ideal for researchers seeking reliable, air-stable boron reagents for peptide modifications, drug discovery, and advanced material science applications. Store under inert conditions at 2-8°C to maintain optimal stability.

Properties

• CAS Number: 936329-97-4
• Complexity: 302
• IUPAC Name: potassium;(4-tert-butoxycarbonylpiperazin-1-yl)methyl-trifluoro-boranuide
• InChI: InChI=1S/C10H19BF3N2O2.K/c1-10(2,3)18-9(17)16-6-4-15(5-7-16)8-11(12,13)14;/h4-8H2,1-3H3;/q-1;+1
• InChI Key: WVNSYJFWKWTVKH-UHFFFAOYSA-N
• Exact Mass: 306.1128740
• Molecular Formula: C10H19BF3KN2O2
• Molecular Weight: 306.18
• SMILES: [B-](CN1CCN(CC1)C(=O)OC(C)(C)C)(F)(F)F.[K+]
• Topological: 32.8
• Monoisotopic Mass: 306.1128740
• Synonyms: POTASSIUM (4-TERT-BUTOXYCARBONYLPIPERAZIN-1-YL)METHYLTRIFLUOROBORATE, 677-466-2, 936329-97-4, Potassium ((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)trifluoroborate, Potassium (4-BOC-piperazin-1-yl)methyltrifluoroborate, Potassium 1-trifluoroboratomethyl-4-(N Boc)-piperazine, MFCD10566514, potassium;trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]boranuide, SCHEMBL533058, CS-WAA0264, DTXSID50670570, WVNSYJFWKWTVKH-UHFFFAOYSA-N, BCP32985, AKOS015841597, AKOS015900437, potassium,trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]boranuide, AS-72886, SY066346, DB-079636, N12166, Potassium ((4-boc)piperazin-1-yl)methyl)trifluoroborate, Potassium [(4-Boc-1-piperazinyl)methyl]trifluoroborate, potassium (4-tert-butoxycarbonyl-piperazin-1-yl)methyltrifluoroborate, Potassium (piperazin-1-yl)methyltrifluoroborate, N-4 BOC protected, potassium;(4-tert-butoxycarbonylpiperazin-1-yl)methyl-trifluoro-boranuide, Potassium ((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)trifluoroborate?936329-97-4, potassium ((4-(tert.-butoxycarbonyl)-piperazin-1-yl)-methyl)-trifluoroborate, potassium ({4-[(tert-butoxy)carbonyl]piperazin-1-yl}methyl)trifluoroboranuide, potassium {[4-(tert-butoxycarbonyl)piperazin-1-yl]methyl}(trifluoro)borate(1-)

Application

Potassium (4-tert-butoxycarbonylpiperazin-1-yl)methyltrifluoroborate serves as a key building block in peptide coupling and bioconjugation strategies due to its BOC-protected amine group. It is widely employed in Suzuki-Miyaura cross-coupling reactions to introduce piperazine motifs into pharmaceuticals and agrochemicals. The trifluoroborate group enhances stability while maintaining reactivity under mild conditions, making it suitable for late-stage functionalization in drug discovery pipelines.

Safety and Hazards

GHS Hazard Statements

• H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (83.3%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (16.7%)
• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (83.3%)
• Eye Irrit. 2A (83.3%)
• Acute Tox. 4 (16.7%)
• STOT SE 3 (83.3%)

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