CAS 1426290-06-3

1,1-Dimethylethyl 3-chloro-α-cyano-5-(trifluoromethyl)-2-pyridineacetate

Description:

1,1-Dimethylethyl 3-chloro-α-cyano-5-(trifluoromethyl)-2-pyridineacetate, identified by its CAS number 1426290-06-3, is a chemical compound that features a pyridine ring substituted with various functional groups. This compound contains a chloro group, a cyano group, and a trifluoromethyl group, which contribute to its unique chemical reactivity and properties. The presence of the trifluoromethyl group often enhances lipophilicity and can influence biological activity, making it of interest in pharmaceutical applications. The ester functional group in the structure suggests potential for hydrolysis under certain conditions, which could lead to the release of the corresponding acid and alcohol. Additionally, the compound's structure indicates potential for interactions with biological targets, making it relevant in the study of agrochemicals or pharmaceuticals. Its stability, solubility, and reactivity would depend on the specific conditions, including pH and temperature, as well as the presence of other reactive species. Overall, this compound exemplifies the complexity and diversity of synthetic organic chemistry.

Formula: C₁₃H₁₂ClF₃N₂O₂

InChI: InChI=1S/C13H12ClF3N2O2/c1-12(2,3)21-11(20)8(5-18)10-9(14)4-7(6-19-10)13(15,16)17/h4,6,8H,1-3H3

InChI key: InChIKey=WDISDGYOJULGDE-UHFFFAOYSA-N

SMILES: C(C(OC(C)(C)C)=O)(C#N)C1=C(Cl)C=C(C(F)(F)F)C=N1

Synonyms:

• 1,1-Dimethylethyl 3-chloro-α-cyano-5-(trifluoromethyl)-2-pyridineacetate
• 2-Pyridineacetic acid, 3-chloro-α-cyano-5-(trifluoromethyl)-, 1,1-dimethylethyl ester
• tert-Butyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-2-cyanoacetate

tert-Butyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-cyanoacetate

CAS: 1426290-06-3

tert-Butyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-cyanoacetate

Purity: ≥95%

Molecular weight: 320.69g/mol

Ref: 54-PC400604