Description

Methyl-3-Isocyano-3-(4-Trifluoromethylphenyl)Propionate CAS NO 730971-48-9 is a specialized organic building block featuring a reactive isocyano group and a trifluoromethylphenyl moiety. This compound is highly valued for its role as a versatile intermediate in the synthesis of complex heterocycles and functionalized molecules. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for constructing novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in medicinal chemistry programs targeting bioactive heterocycles.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, leveraging the biological activity imparted by the trifluoromethyl group.
• Material Science Research: Serves as a precursor for functional polymers or organic electronic materials due to its unique combination of functional groups.
• Chemical Biology Probes: Employed in the synthesis of isocyanide-based probes for bioorthogonal labeling and activity-based protein profiling.
• Multicomponent Reaction (MCR) Chemistry: An essential reactant in Passerini and Ugi-type multicomponent reactions to efficiently generate complex molecular libraries.
• Fine Chemical Manufacturing: Acts as a building block for custom synthesis and contract manufacturing of high-value specialty chemicals.

Basic Information

Product Name	Methyl-3-Isocyano-3-(4-Trifluoromethylphenyl)Propionate
CAS No.	730971-48-9
Molecular Formula	C₁₂H₁₀F₃NO₂
Molecular Weight	257.21 g/mol
Synonyms	Methyl 3-Isocyano-3-[4-(trifluoromethyl)phenyl]propanoate; 3-Isocyano-3-(4-trifluoromethylphenyl)propionic Acid Methyl Ester; Methyl 3-Isocyano-3-(4-trifluoromethylphenyl)propionate; Propanoic acid, 3-isocyano-3-[4-(trifluoromethyl)phenyl]-, methyl ester; Methyl β-isocyano-β-(4-trifluoromethylphenyl)propionate
EINECS	Contact for details

Quality Control

Our Methyl-3-Isocyano-3-(4-Trifluoromethylphenyl)Propionate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure high purity and consistent performance. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance protocols.

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 or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
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.