CAS 730964-73-5

Pentanoic acid, 2-isocyano-, methyl ester

Description:

Pentanoic acid, 2-isocyano-, methyl ester, identified by the CAS number 730964-73-5, is an organic compound characterized by its functional groups, including an isocyanate and an ester. This compound typically exhibits a moderate molecular weight and is likely to be a colorless to pale yellow liquid at room temperature. It is soluble in organic solvents but may have limited solubility in water due to its hydrophobic alkyl chain. The presence of the isocyanate group suggests that it may be reactive, particularly with nucleophiles, and can participate in various chemical reactions, including polymerization and the formation of ureas. Additionally, the methyl ester component indicates that it can undergo hydrolysis to yield pentanoic acid and methanol. Safety considerations are important, as isocyanates can be hazardous, potentially causing respiratory irritation and sensitization. Overall, this compound's unique structure and reactivity make it of interest in organic synthesis and materials science.

Formula: C₇H₁₁NO₂

InChI: InChI=1S/C7H11NO2/c1-4-5-6(8-2)7(9)10-3/h6H,4-5H2,1,3H3

InChI key: InChIKey=UCFJXOTYDWHYEF-UHFFFAOYSA-N

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

Synonyms:

• 2-Isocyanovaleric acid methyl ester
• Pentanoic acid, 2-isocyano-, methyl ester