CAS 937599-96-7

Ethyl 2-[[4-(2-furanyl)-2-pyrimidinyl]thio]acetate

Description:

Ethyl 2-[[4-(2-furanyl)-2-pyrimidinyl]thio]acetate, identified by its CAS number 937599-96-7, is an organic compound characterized by its unique structural features. It contains an ethyl ester functional group, which contributes to its solubility in organic solvents. The presence of a pyrimidine ring fused with a furan moiety indicates potential biological activity, as both of these heterocycles are known for their roles in pharmaceuticals and agrochemicals. The thioether linkage in the structure suggests that it may exhibit specific reactivity patterns, particularly in nucleophilic substitution reactions. This compound may also display interesting properties such as moderate to high polarity due to the presence of electronegative atoms in its structure. Its potential applications could span various fields, including medicinal chemistry, where it might serve as a lead compound for drug development or as an intermediate in synthetic pathways. Overall, the combination of its functional groups and heterocyclic components makes it a compound of interest for further research and exploration in chemical synthesis and biological evaluation.

Formula: C₁₂H₁₂N₂O₃S

InChI: InChI=1S/C12H12N2O3S/c1-2-16-11(15)8-18-12-13-6-5-9(14-12)10-4-3-7-17-10/h3-7H,2,8H2,1H3

InChI key: InChIKey=LXOKGCGFFGYIII-UHFFFAOYSA-N

SMILES: S(CC(OCC)=O)C=1N=C(C=CN1)C2=CC=CO2

Synonyms:

• Acetic acid, 2-[[4-(2-furanyl)-2-pyrimidinyl]thio]-, ethyl ester
• Ethyl 2-[[4-(2-furanyl)-2-pyrimidinyl]thio]acetate