Description

Ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-cyanoacetate (CAS No. 923251-81-4) is a high-purity synthetic intermediate with the molecular formula C₁₁H₈ClF₃N₂O₂. This compound features a pyridine core substituted with chloro and trifluoromethyl groups, along with an ethyl cyanoacetate moiety, making it a versatile building block for pharmaceutical and agrochemical research. Its unique structure enables applications in the synthesis of heterocyclic compounds, enzyme inhibitors, and bioactive molecules. Available in >98% purity (HPLC), it is supplied in sealed containers under inert gas to ensure stability. Suitable for use in organic synthesis, medicinal chemistry, and material science.

Properties

• CAS Number: 923251-81-4
• Complexity: 380
• IUPAC Name: ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-cyano-acetate
• InChI: InChI=1S/C11H8ClF3N2O2/c1-2-19-10(18)7(4-16)9-8(12)3-6(5-17-9)11(13,14)15/h3,5,7H,2H2,1H3
• InChI Key: MTHOZIDITGUPLW-UHFFFAOYSA-N
• Exact Mass: 292.0226397
• Molecular Formula: C11H8ClF3N2O2
• Molecular Weight: 292.64
• SMILES: CCOC(=O)C(C#N)C1=C(C=C(C=N1)C(F)(F)F)Cl
• Topological: 63
• Monoisotopic Mass: 292.0226397
• Synonyms: ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-cyanoacetate, 923251-81-4, ethyl [3-chloro-5-(trifluoromethyl)pyridin-2-yl](cyano)acetate, ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-cyano-acetate, ethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-2-cyanoacetate, SCHEMBL19371259, MTHOZIDITGUPLW-UHFFFAOYSA-N, YLB25181, MFCD08444255, AKOS023166088, CS-10176, CS-0242070, EN300-24431, G32146, Z196931020, ethyl2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-cyanoacetate, 3-Chloro-1-cyano-5-(trifluoromethyl)-2-pyridineacetic acid ethyl ester

Application

Ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-cyanoacetate is primarily used as a key intermediate in the synthesis of advanced pyridine derivatives with potential pharmaceutical or agrochemical activity. Its reactive cyano and ester groups facilitate cyclization and condensation reactions, making it valuable for constructing heterocyclic scaffolds. Researchers employ this compound in the development of enzyme inhibitors and receptor modulators due to its electron-withdrawing trifluoromethyl group. It is also explored in material science for designing functionalized polymers or ligands.

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