Description

(3E)-2-(4-Boc-Piperazinyl)-4-Phenyl-3-Butenoic Acid CAS NO 853681-16-0 is a high-purity, advanced pharmaceutical intermediate featuring a protected piperazine moiety and an α,β-unsaturated carboxylic acid functional group. This compound is critical for medicinal chemistry research and development, serving as a versatile building block for the synthesis of novel therapeutic agents. It is primarily utilized by pharmaceutical R&D laboratories and fine chemical manufacturers engaged in the development of small molecule drugs targeting neurological and oncological pathways.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of complex molecules with potential biological activity, particularly in central nervous system (CNS) and oncology drug discovery programs.
• Protease Inhibitor Research: Used in the development of novel protease inhibitors, leveraging its structural features for molecular docking and activity optimization.
• Kinase Inhibitor Scaffold: Serves as a core scaffold or side-chain precursor for the design and synthesis of selective kinase inhibitors.
• Peptidomimetic Chemistry: Employed in the construction of peptidomimetics, where the Boc-protected piperazine and phenyl butenoic acid structure mimic peptide motifs.
• Chemical Biology Probes: Utilized for creating tagged or labeled chemical probes to study enzyme function and protein-ligand interactions in biological systems.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) producing APIs (Active Pharmaceutical Ingredients) for clinical trials.

Basic Information

Product Name	(3E)-2-(4-Boc-Piperazinyl)-4-Phenyl-3-Butenoic Acid
CAS No.	853681-16-0
Molecular Formula	C19H26N2O4
Molecular Weight	346.42 g/mol
Synonyms	2-[(4-{[(1,1-Dimethylethoxy)carbonyl]amino}piperazin-1-yl)]-4-phenyl-3-butenoic acid; (E)-2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-4-phenylbut-3-enoic acid; 4-Phenyl-3-butenoic acid, 2-(4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl)-, (3E)-; tert-Butyl 4-(1-carboxy-3-phenylallyl)piperazine-1-carboxylate; Boc-Pip-Phe-CH=CH-COOH (common abbreviation); 853681-16-0; (3E)-2-(4-Boc-piperazin-1-yl)-4-phenylbut-3-enoic acid
EINECS	Contact for details

Quality Control

Our (3E)-2-(4-Boc-Piperazinyl)-4-Phenyl-3-Butenoic Acid is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity, NMR for structural confirmation, and LC-MS for identity verification, to ensure it meets the high standards required for pharmaceutical research. Certificates of Analysis (COA) detailing all specifications and test results are provided with each shipment and are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under dry conditions to prevent degradation. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm

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