CAS 730964-70-2

Hexanoic acid, 2-isocyano-, methyl ester

Description:

Hexanoic acid, 2-isocyano-, methyl ester, identified by CAS number 730964-70-2, is an organic compound characterized by its ester functional group and the presence of an isocyanide moiety. This compound typically exhibits a moderate molecular weight and is soluble in organic solvents, which is common for esters. The presence of the isocyanide group imparts unique reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions and cycloadditions. Hexanoic acid, as a fatty acid, contributes to the compound's hydrophobic characteristics, while the methyl ester form enhances its volatility and reactivity. The compound may be utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals. Safety data should be consulted, as isocyanides can be toxic and have specific handling requirements. Overall, this compound represents a versatile building block in organic synthesis, with applications that may extend to materials science and biochemistry.

Formula: C₈H₁₃NO₂

InChI: InChI=1S/C8H13NO2/c1-4-5-6-7(9-2)8(10)11-3/h7H,4-6H2,1,3H3

InChI key: InChIKey=HFISWXFLYQOROF-UHFFFAOYSA-N

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

Synonyms:

• Hexanoic acid, 2-isocyano-, methyl ester
• 2-Isocyanohexanoic acid methyl ester