CAS 187283-18-7

Carbamic acid, [[4-(cyanomethyl)phenyl]methyl]-, 1,1-dimethylethyl ester

Description:

Carbamic acid, [[4-(cyanomethyl)phenyl]methyl]-, 1,1-dimethylethyl ester, identified by CAS number 187283-18-7, is an organic compound characterized by its carbamate functional group. This substance features a phenyl ring substituted with a cyanomethyl group, which contributes to its reactivity and potential applications in organic synthesis. The presence of the tert-butyl ester group enhances its stability and solubility in organic solvents, making it suitable for various chemical reactions. The cyanomethyl moiety may impart unique properties, such as increased polarity and potential for further functionalization. As a carbamate, it may exhibit biological activity, including potential herbicidal or pesticidal properties, which are common in compounds of this class. Its molecular structure suggests it could participate in nucleophilic substitution reactions, making it a valuable intermediate in the synthesis of more complex organic molecules. However, specific safety and handling guidelines should be followed due to the potential toxicity associated with cyanide-containing compounds.

Formula: C₁₄H₁₈N₂O₂

InChI: InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-10-12-6-4-11(5-7-12)8-9-15/h4-7H,8,10H2,1-3H3,(H,16,17)

InChI key: InChIKey=PFULYSZQVYZMTE-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)C1=CC=C(CC#N)C=C1

Synonyms:

• Carbamic acid, [[4-(cyanomethyl)phenyl]methyl]-, 1,1-dimethylethyl ester