Description

2,5-Dimethylbenzylisocyanide is a specialized organic building block featuring an isocyanide functional group on a dimethyl-substituted benzyl backbone. This compound is valued for its role as a versatile reagent in transition metal-catalyzed reactions and multicomponent synthesis, enabling the efficient construction of complex heterocyclic and pharmaceutical scaffolds. It is primarily sought by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for lead optimization and novel compound library generation.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of nitrogen-containing heterocycles via Passerini and Ugi multicomponent reactions.
• Agrochemical Research: Used in the development of novel active ingredients and fungicides requiring specific isocyanide-derived motifs.
• Catalysis & Ligand Synthesis: Serves as a ligand precursor or a reactant in palladium-catalyzed cross-coupling and isonitrile insertion reactions.
• Chemical Biology & Proteomics: Employed in bioorthogonal labeling strategies and activity-based protein profiling due to its reactive isocyanide group.
• Material Science: Utilized in the development of functional polymers and metal-organic frameworks (MOFs) with tailored properties.
• Academic & Industrial R&D: A fundamental reagent for methodological development in organic synthesis and discovery chemistry.

Basic Information

Product Name	2,5-Dimethylbenzylisocyanide
CAS No.	730964-57-5
Molecular Formula	C10H11N
Molecular Weight	145.20 g/mol
Synonyms	1-Isocyanomethyl-2,5-dimethylbenzene; (2,5-Dimethylphenyl)methyl isocyanide; 2,5-Dimethylbenzyl isonitrile; α-Isocyano-2,5-dimethyltoluene; 2,5-Dimethylbenzyl Isocyanide; 2,5-Xylylmethyl isocyanide
EINECS	Contact for details

Quality Control

Our 2,5-Dimethylbenzylisocyanide is manufactured under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure consistency and reliability for sensitive synthetic applications. A detailed Certificate of Analysis (COA) documenting identity, purity, 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 room temperature (15-25°C). This material is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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