Description

3-Isocyanato-3-Methylbut-1-Yne is a specialized alkyne-functional isocyanate monomer, a key building block in advanced organic synthesis. Its unique structure, featuring both a highly reactive isocyanate group and a terminal alkyne, makes it a versatile precursor for constructing complex molecular architectures. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors, particularly for applications requiring click chemistry, polymer cross-linking, and the synthesis of heterocyclic compounds.

Application

• Pharmaceutical Intermediate: Serves as a critical synthon for the development of novel active pharmaceutical ingredients (APIs), especially those incorporating triazole or other heterocyclic motifs via Huisgen cycloaddition (click chemistry).
• Agrochemical Synthesis: Used in the research and production of advanced crop protection agents, where its bifunctional reactivity allows for the creation of molecules with specific biological activity.
• Polymer & Material Science: Acts as a cross-linking agent or co-monomer in the synthesis of specialty polyurethanes, coatings, adhesives, and high-performance polymers with tailored properties.
• Chemical Research & Development: A valuable reagent in academic and industrial R&D for constructing molecular scaffolds, dendrimers, and functionalized surfaces.
• Ligand & Catalyst Development: Employed in the synthesis of specialized ligands for metal-organic frameworks (MOFs) or catalysts due to its alkyne functionality.

Basic Information

Product Name	3-Isocyanato-3-Methylbut-1-Yne
CAS No.	37442-66-3
Molecular Formula	C6H7NO
Molecular Weight	109.13 g/mol
Synonyms	3-Methyl-3-isocyanato-1-butyne; 3-Isocyanato-3-methyl-1-butyne; 3-Methylbut-1-yn-3-yl isocyanate; 1-Isocyanato-1,1-dimethyl-2-propyne; 3-Methyl-1-butyn-3-yl isocyanate; Dimethylpropargyl isocyanate
EINECS	Contact for details

Quality Control

Every batch of 3-Isocyanato-3-Methylbut-1-Yne is produced and tested under stringent quality management protocols to ensure consistency and purity for demanding synthetic applications. Our products undergo rigorous analytical testing, including GC, HPLC, and NMR, to verify identity, potency, and impurity profiles. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, open flames, and incompatible materials such as alcohols, amines, and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 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.