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4-[(4-Ethylpiperazin-1-Yl)Methyl]-3-(Trifluoromethyl)Benzoic Acid Hcl CAS NO 887565-40-4


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CAS No.:887565-40-4

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

4-[(4-Ethylpiperazin-1-Yl)Methyl]-3-(Trifluoromethyl)Benzoic Acid Hcl is a high-purity, advanced pharmaceutical intermediate with a distinct trifluoromethyl and piperazine-substituted benzoic acid structure. This compound is critical for medicinal chemistry research and development, particularly in the synthesis of targeted small-molecule therapeutics. It is primarily sought by pharmaceutical R&D teams and fine chemical manufacturers for its role as a key building block in drug discovery programs.

Application

  • Pharmaceutical Intermediate: A key synthetic precursor in the development of novel active pharmaceutical ingredients (APIs), especially for central nervous system (CNS) and oncology targets.
  • Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization due to its trifluoromethyl and ethylpiperazine functional groups, which can enhance metabolic stability and binding affinity.
  • Custom Synthesis Building Block: Employed in contract research and manufacturing (CRAM) for the custom synthesis of complex molecules for preclinical and clinical trials.
  • Biochemical Tool Compound: Serves as a research chemical in biochemical assays to study enzyme inhibition or receptor modulation.
  • Fine Chemical Production: Integrated into multi-step synthesis processes for producing high-value specialty chemicals.

Basic Information

Product Name 4-[(4-Ethylpiperazin-1-Yl)Methyl]-3-(Trifluoromethyl)Benzoic Acid Hydrochloride
CAS No. 887565-40-4
Molecular Formula C15H20F3N2O2 • HCl
Molecular Weight 362.79 g/mol (Free base: 326.33 g/mol)
Synonyms 3-(Trifluoromethyl)-4-[(4-ethyl-1-piperazinyl)methyl]benzoic acid hydrochloride; 4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid HCl; Benzoic acid, 4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-, hydrochloride (1:1); 887565-40-4; 4-(4-Ethylpiperazin-1-ylmethyl)-3-trifluoromethylbenzoic acid hydrochloride
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Quality Control

Every batch of 4-[(4-Ethylpiperazin-1-Yl)Methyl]-3-(Trifluoromethyl)Benzoic Acid Hcl is manufactured and tested under a strict quality management system. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency meet the exacting standards required for pharmaceutical research. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment.

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 product is hygroscopic (moisture-sensitive) and must be kept under anhydrous conditions. For long-term storage, consider desiccants or an inert atmosphere.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Identification (HPLC) Retention time matches reference standard
Assay (HPLC) ≥ 98.0%
Water Content (KF) ≤ 1.0%
Residue on Ignition ≤ 0.1%
Heavy Metals ≤ 20 ppm
Single Unknown Impurity (HPLC) ≤ 0.5%
Total Impurities (HPLC) ≤ 2.0%

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

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