Description

4-(Trifluoromethoxy)Benzylisocyanide is a versatile and high-value organic building block characterized by its reactive isocyanide functional group and trifluoromethoxy aromatic substituent. This compound is essential for facilitating the synthesis of complex heterocyclic and peptidomimetic structures through multicomponent reactions. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of drug candidates, particularly for constructing heterocyclic cores via Passerini and Ugi multicomponent reactions.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging the trifluoromethoxy group to modulate biological activity and stability.
• Material Science: Serves as a building block for functional polymers and advanced organic materials with tailored electronic or surface properties.
• Chemical Biology & Proteomics: Employed in the creation of activity-based probes and bioconjugation reagents for studying biological processes.
• Catalyst Ligand Synthesis: Utilized to prepare novel isocyanide-based ligands for transition metal catalysis.
• Combinatorial Chemistry: A valuable reagent in library synthesis for high-throughput screening of bioactive compounds.

Basic Information

Product Name	4-(Trifluoromethoxy)Benzylisocyanide
CAS No.	1029634-31-8
Molecular Formula	C9H6F3NO
Molecular Weight	201.15 g/mol
Synonyms	1-Isocyano-1-[4-(trifluoromethoxy)phenyl]methane; 4-(Trifluoromethoxy)phenylmethyl isocyanide; p-(Trifluoromethoxy)benzyl isocyanide; 4-(Trifluoromethoxy)benzyl isonitrile; α-Isocyano-4-(trifluoromethoxy)toluene; (4-(Trifluoromethoxy)phenyl)methanisonitrile; Benzylisocyanide, 4-(trifluoromethoxy)-
EINECS	Contact for details

Quality Control

Every batch of 4-(Trifluoromethoxy)Benzylisocyanide is produced and tested under strict quality management protocols to ensure consistency and purity for critical research applications. Our standard analytical suite includes HPLC for purity determination, NMR for structural confirmation, and GC-MS for impurity profiling. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This material is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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