Description

4-((S)-1-Amino-2,2,2-Trifluoro-Ethyl)-Benzoic Acid Ethyl Ester is a high-value, chiral trifluoromethylated building block essential for modern synthetic chemistry. Its core value lies in the combination of a stereogenic center and the trifluoromethyl group, which is critical for modulating the biological activity, metabolic stability, and lipophilicity of target molecules. This compound is primarily needed by pharmaceutical and agrochemical R&D teams for the synthesis of novel active ingredients, including protease inhibitors and other small-molecule therapeutics.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the development of active pharmaceutical ingredients (APIs), particularly in protease inhibitor research.
• Agrochemical Synthesis: Used in the creation of advanced herbicides and pesticides where the trifluoromethyl group enhances efficacy and environmental stability.
• Medicinal Chemistry Research: Serves as a versatile scaffold for structure-activity relationship (SAR) studies and library synthesis in drug discovery programs.
• Fluorine Chemistry: An important reagent for introducing chiral, fluorine-containing motifs into complex organic molecules.
• Peptidomimetics: Employed in the design and synthesis of peptide analogs with improved pharmacological profiles.

Basic Information

Product Name	4-((S)-1-Amino-2,2,2-Trifluoro-Ethyl)-Benzoic Acid Ethyl Ester
CAS No.	886369-03-5
Molecular Formula	C11H12F3NO2
Molecular Weight	247.21 g/mol
Synonyms	(S)-Ethyl 4-(1-amino-2,2,2-trifluoroethyl)benzoate; Ethyl (S)-4-(1-Amino-2,2,2-trifluoroethyl)benzoate; 4-[(1S)-1-Amino-2,2,2-trifluoroethyl]benzoic Acid Ethyl Ester; Benzoic acid, 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-, ethyl ester; (S)-4-(1-Amino-2,2,2-trifluoroethyl)benzoic Acid Ethyl Ester; (S)-Ethyl 4-(1-amino-2,2,2-trifluoroethyl)benzoate; (S)-ATFBE; 886369-03-5
EINECS	Contact for details

Quality Control

Our production of 4-((S)-1-Amino-2,2,2-Trifluoro-Ethyl)-Benzoic Acid Ethyl Ester adheres to stringent quality management protocols to ensure batch-to-batch consistency and high chemical purity. Each lot is fully characterized using advanced analytical techniques, including chiral HPLC, to confirm enantiomeric excess and identity. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed to minimize exposure to atmospheric moisture. For long-term storage, consider using desiccants or storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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