Description

4-(4-Ethynylbenzenesulfonyl)-Piperazine-1-Carboxylic Acid tert-Butyl Ester is a high-purity, advanced pharmaceutical intermediate featuring a unique sulfonyl piperazine scaffold with an ethynyl functional handle. This compound is specifically engineered for targeted drug discovery and development, particularly in the synthesis of complex small molecule inhibitors and PROTACs (Proteolysis Targeting Chimeras). It is an essential building block for research and production teams in the pharmaceutical, biotechnology, and fine chemical sectors who require reliable, high-quality intermediates for innovative therapeutic programs.

Application

• Pharmaceutical Intermediate: A key synthon in the research and development of novel active pharmaceutical ingredients (APIs), especially kinase inhibitors and targeted cancer therapies.
• PROTAC Linker Chemistry: Utilized in the construction of heterobifunctional PROTAC molecules, where its piperazine core and ethynyl group serve as a versatile conjugation point for E3 ligase ligands.
• Medicinal Chemistry & SAR Studies: Employed in structure-activity relationship (SAR) explorations to introduce sulfonamide and alkyne functionalities into lead compounds for optimizing potency and selectivity.
• Bioconjugation: The terminal alkyne group enables efficient, site-specific conjugation via click chemistry (e.g., copper-catalyzed azide-alkyne cycloaddition) for labeling or creating antibody-drug conjugates (ADCs).
• Chemical Biology Probes: Serves as a precursor for developing chemical probes to study enzyme function and protein-protein interactions within biological systems.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the cGMP or non-GMP production of bespoke molecules for clinical trials.

Basic Information

Product Name	4-(4-Ethynylbenzenesulfonyl)-Piperazine-1-Carboxylic Acid tert-Butyl Ester
CAS No.	1162257-02-4
Molecular Formula	C17H22N2O4S
Molecular Weight	350.44 g/mol
Synonyms	1-Boc-4-(4-ethynylphenylsulfonyl)piperazine; tert-Butyl 4-[(4-ethynylphenyl)sulfonyl]piperazine-1-carboxylate; 4-(4-Ethynylphenylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester; 1-(tert-Butoxycarbonyl)-4-(4-ethynylbenzenesulfonyl)piperazine; Boc-Piperazine-4-(4-ethynylbenzenesulfonyl); N-Boc-4-(4-Ethynylbenzenesulfonyl)piperazine
EINECS	Contact for details

Quality Control

Every batch of 4-(4-Ethynylbenzenesulfonyl)-Piperazine-1-Carboxylic Acid tert-Butyl Ester is manufactured under strict quality management systems. Our products undergo rigorous quality testing using advanced analytical techniques (HPLC, NMR, MS) to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Production can be aligned with ISO and cGMP guidelines for applications requiring the highest standards of traceability and documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This material is light-sensitive (store away from light). Keep container tightly sealed to protect from moisture. For long-term storage, consider inert gas purging.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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