Description

Methyl-3-Isocyano-4-Methylbenzoate is a versatile and highly reactive organic building block containing both an isocyano and an ester functional group. This compound is valued for its role as a key synthon in heterocyclic and pharmaceutical chemistry, enabling efficient construction of complex molecular scaffolds. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for applications in medicinal chemistry and catalyst development.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of nitrogen-containing heterocycles, such as oxazoles and imidazoles, which are core structures in many active pharmaceutical ingredients (APIs).
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides that require specific isocyanide-based chemistry for bioactivity.
• Ligand and Catalyst Development: Serves as a building block for creating specialized isocyanide ligands used in transition metal catalysis and organocatalysis.
• Material Science Research: Employed in the preparation of functional polymers and smart materials where the isocyano group can facilitate unique polymerization or cross-linking reactions.
• Peptidomimetics and Bio-conjugation: Useful in medicinal chemistry for constructing peptidomimetic structures or as a handle for bio-conjugation techniques in probe and drug delivery system development.

Basic Information

Product Name	Methyl-3-Isocyano-4-Methylbenzoate
CAS No.	730964-94-0
Molecular Formula	C10H9NO2
Molecular Weight	175.18 g/mol
Synonyms	3-Isocyano-4-methylbenzoic acid methyl ester; Methyl 3-isocyano-4-methylbenzoate; 4-Methyl-3-isocyanobenzoic acid methyl ester; Benzoic acid, 3-isocyano-4-methyl-, methyl ester; Methyl 4-methyl-3-isocyanobenzoate; 3-Isocyano-p-toluic acid methyl ester
EINECS	Contact for details

Quality Control

Our Methyl-3-Isocyano-4-Methylbenzoate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for research and development applications. We provide comprehensive analytical data, including HPLC purity, NMR, and IR spectroscopy for identity confirmation. A Certificate of Analysis (COA) detailing all specifications is available with every shipment and upon request.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at 2-8°C in a dry, cool, and well-ventilated place. Due to its hygroscopic and easily oxidized nature, the container must be kept tightly sealed and allowed to reach room temperature before opening to minimize moisture ingress and degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%

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