CAS 121505-95-1

Phenylmethyl N-(2-oxo-3-butyn-1-yl)carbamate

Description:

Phenylmethyl N-(2-oxo-3-butyn-1-yl)carbamate, identified by its CAS number 121505-95-1, is a chemical compound that belongs to the class of carbamates. This substance features a phenylmethyl group, which contributes to its aromatic characteristics, and a butynyl moiety that introduces unsaturation and potential reactivity due to the presence of a triple bond. The presence of the carbamate functional group indicates that it may exhibit properties typical of esters and amides, such as potential biological activity and the ability to form hydrogen bonds. The compound's structure suggests it may have applications in organic synthesis or as an intermediate in the production of pharmaceuticals or agrochemicals. Its reactivity can be influenced by the electron-withdrawing nature of the carbonyl group adjacent to the butynyl chain, which may enhance its electrophilic character. As with many organic compounds, safety and handling precautions should be observed, as carbamates can exhibit varying degrees of toxicity and environmental impact.

Formula: C₁₂H₁₁NO₃

InChI: InChI=1S/C12H11NO3/c1-2-11(14)8-13-12(15)16-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,13,15)

InChI key: InChIKey=OLFXCSUNMWZEBL-UHFFFAOYSA-N

SMILES: C(OC(NCC(C#C)=O)=O)C1=CC=CC=C1

Synonyms:

• Carbamic acid, (2-oxo-3-butynyl)-, phenylmethyl ester
• Carbamic acid, N-(2-oxo-3-butyn-1-yl)-, phenylmethyl ester
• Phenylmethyl N-(2-oxo-3-butyn-1-yl)carbamate