CAS 865660-06-6

Methyl 6-amino-5-cyano-3-(methoxycarbonyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyran-2-acetate

Description:

Methyl 6-amino-5-cyano-3-(methoxycarbonyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyran-2-acetate is a complex organic compound characterized by its pyran ring structure, which is a six-membered heterocyclic compound containing one oxygen atom. This substance features multiple functional groups, including an amino group, a cyano group, and an ester group, which contribute to its reactivity and potential applications in medicinal chemistry. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The methoxycarbonyl group indicates that the compound can undergo hydrolysis, potentially releasing methanol and forming a carboxylic acid. Its structural complexity suggests potential utility in drug development, particularly in the synthesis of biologically active molecules. The compound's CAS number, 865660-06-6, allows for precise identification and retrieval of information in chemical databases. Overall, this compound exemplifies the intricate interplay of functional groups that can lead to diverse chemical properties and applications.

Formula: C₁₈H₁₅F₃N₂O₅

InChI: InChI=1S/C18H15F3N2O5/c1-26-13(24)7-12-15(17(25)27-2)14(11(8-22)16(23)28-12)9-4-3-5-10(6-9)18(19,20)21/h3-6,14H,7,23H2,1-2H3

InChI key: InChIKey=WJFTYKCHNGRASU-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(C(C#N)=C(N)OC1CC(OC)=O)C2=CC(C(F)(F)F)=CC=C2

Synonyms:

• Methyl 6-amino-5-cyano-3-(methoxycarbonyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyran-2-acetate
• 4H-Pyran-2-acetic acid, 6-amino-5-cyano-3-(methoxycarbonyl)-4-[3-(trifluoromethyl)phenyl]-, methyl ester