CAS 89099-03-6

Pentanoic acid, 2-isocyano-4-methyl-, phenylmethyl ester

Description:

Pentanoic acid, 2-isocyano-4-methyl-, phenylmethyl ester, with the CAS number 89099-03-6, is an organic compound characterized by its ester functional group and the presence of an isocyanide moiety. This compound features a pentanoic acid backbone, which contributes to its carboxylic acid characteristics, while the isocyano group introduces unique reactivity and properties associated with isocyanides. The phenylmethyl (benzyl) ester portion enhances its lipophilicity and may influence its solubility in organic solvents. Typically, compounds of this nature exhibit moderate volatility and can participate in various chemical reactions, including nucleophilic additions and cycloadditions, due to the presence of the isocyanide group. The presence of the methyl group at the 4-position of the pentanoic acid chain can affect steric hindrance and reactivity. Overall, this compound may find applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, owing to its unique structural features and reactivity profile.

Formula: C₁₄H₁₇NO₂

InChI: InChI=1S/C14H17NO2/c1-11(2)9-13(15-3)14(16)17-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-2H3

InChI key: InChIKey=DKBQPUNNMIXZBX-UHFFFAOYSA-N

SMILES: C(OC(C(CC(C)C)[N+]#[C-])=O)C1=CC=CC=C1

Synonyms:

• Pentanoic acid, 2-isocyano-4-methyl-, phenylmethyl ester

Pentanoic acid, 2-isocyano-4-methyl-, phenylmethyl ester

CAS: 89099-03-6

Formula: C₁₄H₁₇NO₂

Molecular weight: 231.2903

Ref: IN-DA003ZYL