Description

Benzoic Acid, 4-[(1S)-1-Aminoethyl]-, 1,1-Dimethylethyl Ester is a chiral, protected amino acid derivative, specifically a tert-butyl ester of a substituted benzoic acid, with the CAS registry number 847729-02-6. This compound is a critical high-purity building block in advanced organic synthesis, valued for its role in introducing a specific stereochemistry and functional group. It is primarily needed by pharmaceutical R&D and fine chemical manufacturers engaged in the development of active pharmaceutical ingredients (APIs), peptides, and complex chiral molecules.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the synthesis of novel Active Pharmaceutical Ingredients (APIs), particularly for central nervous system (CNS) and metabolic disorder targets.
• Peptide Chemistry: Used in solid-phase and solution-phase peptide synthesis to incorporate a protected amino acid moiety with a benzoic acid side chain.
• Asymmetric Synthesis: Serves as a chiral auxiliary or starting material for constructing complex molecules with high enantiomeric purity.
• Protecting Group Strategy: The tert-butyl ester group provides orthogonal protection for carboxylic acids in multi-step synthetic sequences.
• Ligand and Catalyst Development: A precursor for creating chiral ligands used in asymmetric catalysis, such as hydrogenation or cross-coupling reactions.
• Chemical Biology Research: Employed in the design and synthesis of molecular probes and bio-conjugates for studying biological pathways.

Basic Information

Product Name	Benzoic Acid, 4-[(1S)-1-Aminoethyl]-, 1,1-Dimethylethyl Ester
CAS No.	847729-02-6
Molecular Formula	C14H21NO2
Molecular Weight	235.32 g/mol
Synonyms	(S)-4-(1-Aminoethyl)benzoic acid tert-butyl ester; tert-Butyl (S)-4-(1-aminoethyl)benzoate; (S)-tert-Butyl 4-(1-aminoethyl)benzoate; 4-[(1S)-1-Aminoethyl]benzoic acid 1,1-dimethylethyl ester; (S)-Tert-butyl 4-(aminoethyl)benzoate; (S)-4-(1-Aminoethyl)-benzoic acid tert-butyl ester; Benzoic acid, 4-[(1S)-1-aminoethyl]-, 1,1-dimethylethyl ester
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 4-[(1S)-1-Aminoethyl]-, 1,1-Dimethylethyl Ester is produced under strict quality management systems to ensure batch-to-batch consistency for critical R&D and cGMP manufacturing. Each lot undergoes comprehensive analytical testing, including HPLC for chiral purity and assay, NMR for structural confirmation, and optical rotation measurement. Certificates of Analysis (COA) detailing all specifications are provided and available upon request.

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). Keep the container tightly sealed under an inert atmosphere (e.g., nitrogen) for long-term storage to maintain stability and prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥98.0%
Chiral Purity (HPLC)	≥99.0% ee
Optical Rotation	Contact for details
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.