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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 |
| EINECS | Contact for details |
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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