Description

1,1-Difluoro-3-isocyanocyclobutane (CAS No. 1355328-31-2) is a specialized fluorinated cyclobutane derivative with the molecular formula C₅H₅F₂N. This high-purity compound is designed for advanced research applications, particularly in medicinal chemistry, materials science, and organofluorine synthesis. The presence of both difluoro and isocyano functional groups on the cyclobutane ring offers unique reactivity for cycloadditions, cross-coupling reactions, and as a precursor for heterocyclic scaffolds. Available in rigorously controlled batches (≥95% purity by GC/MS), it is supplied in amber glass vials under inert atmosphere to ensure stability. Ideal for researchers exploring fluorinated building blocks or strained ring systems.

Properties

• CAS Number: 1355328-31-2
• Complexity: 136
• IUPAC Name: 1,1-difluoro-3-isocyano-cyclobutane
• InChI: InChI=1S/C5H5F2N/c1-8-4-2-5(6,7)3-4/h4H,2-3H2
• InChI Key: KYWJPXYKFWQBID-UHFFFAOYSA-N
• Exact Mass: 117.03900549
• Molecular Formula: C5H5F2N
• Molecular Weight: 117.10
• SMILES: [C-]#[N+]C1CC(C1)(F)F
• Topological: 4.4
• Monoisotopic Mass: 117.03900549
• Synonyms: 1,1-difluoro-3-isocyanocyclobutane, 1355328-31-2, 4MF5RCD7WT, SCHEMBL360569, KYWJPXYKFWQBID-UHFFFAOYSA-N, WSDJHGZWJFJFEY-UHFFFAOYSA-N, DTXSID301297742, (3,3-Difluorocyclobutyl)isonitrile, AB89712, GS-0568, Cyclobutane, 1,1-difluoro-3-isocyano-, DS-020726, P19383, EN300-1938623

Application

1,1-Difluoro-3-isocyanocyclobutane serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its strained cyclobutane core enables [2+2] cycloadditions for constructing complex carbocycles, while the isocyanide group facilitates Ugi-type multicomponent reactions. The compound’s fluorine atoms enhance metabolic stability in drug discovery applications. Researchers also utilize it to develop novel fluoropolymers with tailored dielectric properties.

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