Description

Dl-n-Boc-3,3,3-Trifluoroalanine,Methylester is a protected trifluoromethylalanine derivative, serving as a crucial chiral building block in advanced organic synthesis. Its value lies in the strategic incorporation of the trifluoromethyl group, which significantly alters the physicochemical properties of target molecules, enhancing their metabolic stability and lipophilicity. This compound is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel bioactive compounds, including potential active pharmaceutical ingredients (APIs) and crop protection agents.

Application

• Pharmaceutical Intermediate: Key chiral synthon for the development of fluorinated peptide mimetics and protease inhibitors.
• Agrochemical Research: Building block for novel herbicides and pesticides where the CF3 group improves biological activity and environmental persistence.
• Material Science: Precursor for specialty polymers and liquid crystals with unique optical and electronic properties.
• Medicinal Chemistry: Used in structure-activity relationship (SAR) studies to explore the "fluorine effect" on drug potency and pharmacokinetics.
• Peptide Chemistry: Enables the introduction of a sterically demanding, lipophilic trifluoromethylalanine residue into synthetic peptides.
• Chemical Biology: Tool compound for probing enzyme active sites and studying protein-ligand interactions via 19F NMR spectroscopy.

Basic Information

Product Name	Dl-n-Boc-3,3,3-Trifluoroalanine,Methylester
CAS No.	1039356-94-9
Molecular Formula	C9H14F3NO4
Molecular Weight	257.21 g/mol
Synonyms	DL-3,3,3-Trifluoroalanine, N-BOC, methyl ester; Methyl (tert-butoxycarbonyl)-3,3,3-trifluoroalaninate; N-(tert-Butoxycarbonyl)-3,3,3-trifluoroalanine methyl ester; Boc-3,3,3-trifluoro-DL-alanine methyl ester; (RS)-2-[(tert-Butoxycarbonyl)amino]-3,3,3-trifluoropropanoic acid methyl ester; 3,3,3-Trifluoroalanine N-BOC methyl ester; DL-N-Boc-trifluoroalanine methyl ester; Methyl N-Boc-3,3,3-trifluoroalaninate
EINECS	Contact for details

Quality Control

Our Dl-n-Boc-3,3,3-Trifluoroalanine,Methylester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and chiral analysis, NMR, and MS for structural confirmation, to ensure it meets the high standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every 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 (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (HPLC)	Racemic mixture (DL)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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