CAS 1119449-67-0

3-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]-4-methoxybenzoyl chloride

Description:

3-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]-4-methoxybenzoyl chloride is a chemical compound characterized by its unique structural features, which include a benzoyl chloride moiety and an oxadiazole ring. The presence of the chloromethyl group enhances its reactivity, making it suitable for various synthetic applications, particularly in the development of pharmaceuticals and agrochemicals. The methoxy group contributes to its lipophilicity, potentially influencing its biological activity and solubility. This compound is typically used as an intermediate in organic synthesis, where it can participate in nucleophilic substitution reactions due to the electrophilic nature of the acyl chloride functional group. Its oxadiazole ring may impart specific properties such as antimicrobial or antifungal activity, which are common in compounds containing heterocyclic structures. As with many chlorinated compounds, appropriate safety measures should be taken during handling due to potential toxicity and environmental concerns. Overall, this compound exemplifies the complexity and utility of heterocyclic chemistry in the development of functional materials.

Formula: C₁₁H₈Cl₂N₂O₃

InChI: InChI=1S/C11H8Cl2N2O3/c1-17-8-3-2-6(10(13)16)4-7(8)11-14-9(5-12)18-15-11/h2-4H,5H2,1H3

InChI key: InChIKey=LEQPVJXSRHXFNP-UHFFFAOYSA-N

SMILES: O(C)C1=C(C=C(C(Cl)=O)C=C1)C=2N=C(CCl)ON2

Synonyms:

• Benzoyl chloride, 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-4-methoxy-
• 3-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]-4-methoxybenzoyl chloride