Description

(4-Boc-1-Piperazinium-1-Ylmethyl)Trifluoroborate Internal Salt is a high-value organotrifluoroborate reagent, a protected form of an aminomethyltrifluoroborate building block. This compound is critical for facilitating stable, cross-coupling-ready intermediates in complex organic synthesis, particularly in pharmaceutical research. It is primarily sought after by medicinal chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing novel molecular scaffolds.

Application

• Suzuki-Miyaura Cross-Coupling Reactions: Serves as a stable, protected boronic acid equivalent for introducing the aminomethylpiperazine moiety into complex molecules under mild conditions.
• Medicinal Chemistry & Drug Discovery: A key building block for the synthesis of targeted libraries and lead optimization candidates, especially for kinase inhibitors and CNS-active compounds.
• Peptidomimetic Synthesis: Used to incorporate modified piperazine structures into peptide backbones to enhance stability and bioavailability.
• Agrochemical Intermediate: Employed in the research and development of novel active ingredients requiring specific nitrogen-containing heterocycles.
• Material Science Research: Potential precursor for creating functionalized polymers or ligands for catalysis.
• Scale-up Process Development: Provides a reliable and consistent starting material for optimizing synthetic routes from milligram to kilogram scale.

Basic Information

Product Name	(4-Boc-1-Piperazinium-1-Ylmethyl)Trifluoroborate Internal Salt
CAS No.	1268340-97-1
Molecular Formula	C10H19BF3N2O2
Molecular Weight	258.08 g/mol
Synonyms	1-[(Boc-amino)methyl]-4-(trifluoroborato)piperazinium inner salt; 1-[(tert-Butoxycarbonylamino)methyl]-4-(trifluoroborato)piperazinium inner salt; 4-Boc-aminomethylpiperazine-1-trifluoroborate; N-Boc-4-(trifluoroboratomethyl)piperazinium betaine; Potassium (4-Boc-aminomethylpiperazin-1-yl)trifluoroborate (common precursor form); (1-Boc-4-piperazinylmethyl)trifluoroborate
EINECS	Contact for details

Quality Control

Our (4-Boc-1-Piperazinium-1-Ylmethyl)Trifluoroborate Internal Salt is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including NMR (1H, 13C, 19F, 11B), HPLC, and mass spectrometry to confirm identity and purity. Certificates of Analysis (COA) with full spectral data are provided to ensure traceability and batch-to-batch consistency for your critical research and development projects.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C (refrigerated) or as specified on the label. This material is hygroscopic (moisture-sensitive) and should be handled under inert atmosphere (argon/nitrogen) when possible to maintain stability. Keep container tightly sealed in a desiccator after opening.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥95%
19F NMR Purity	≥95%
11B NMR Purity	Conforms
Water Content (KF)	≤1.0%
Residual Solvents (GC)	Meets ICH guidelines

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.