Description

Methyl 2-[tert-Butoxycarbonylimino]-3,3,3-Trifluoropropionate is a high-value, specialty fluorinated building block used in advanced organic synthesis. This compound is critical for introducing the trifluoromethyl group and protected amino functionality into target molecules, enabling the development of compounds with enhanced metabolic stability and bioavailability. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of fluorinated peptidomimetics, protease inhibitors, and other bioactive molecules.
• Agrochemical Synthesis: Used to incorporate trifluoromethyl motifs into novel herbicides, fungicides, and insecticides to improve efficacy and environmental profile.
• Material Science Research: Serves as a monomer or building block for developing fluorinated polymers with unique surface properties and chemical resistance.
• Medicinal Chemistry: Enables structure-activity relationship (SAR) studies by providing a versatile handle for introducing fluorinated analogs in drug discovery programs.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs for the production of complex, fluorinated target compounds under cGMP or research-grade conditions.

Basic Information

Product Name	Methyl 2-[tert-Butoxycarbonylimino]-3,3,3-Trifluoropropionate
CAS No.	126535-89-5
Molecular Formula	C9H12F3NO4
Molecular Weight	255.19 g/mol
Synonyms	Methyl 2-[(tert-Butoxycarbonyl)imino]-3,3,3-trifluoropropanoate; 3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoic acid methyl ester; Methyl 3,3,3-trifluoro-2-[(tert-butoxycarbonyl)imino]propionate; BocN=C(CF3)CO2CH3; 2-[(tert-Butoxycarbonyl)imino]-3,3,3-trifluoropropionic Acid Methyl Ester
EINECS	Contact for details

Quality Control

Our Methyl 2-[tert-Butoxycarbonylimino]-3,3,3-Trifluoropropionate is produced under strict quality management systems to ensure batch-to-batch consistency and high purity. We provide comprehensive analytical data, including HPLC purity, NMR, and MS confirmation. Certificates of Analysis (COA) are available for every batch and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). This material is moisture-sensitive (hygroscopic); keep the container tightly sealed under an inert atmosphere such as nitrogen or argon 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%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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