CymitQuimica logo

CAS 123846-70-8

:

1,1-Dimethylethyl α-cyano-3-nitro-2-pyridineacetate

Description:
1,1-Dimethylethyl α-cyano-3-nitro-2-pyridineacetate, with CAS number 123846-70-8, is a chemical compound characterized by its unique structural features, which include a pyridine ring and functional groups such as a cyano and nitro group. This compound typically exhibits a pale yellow to brownish appearance and is soluble in organic solvents. It is often used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals or agrochemicals. The presence of the cyano group contributes to its reactivity, allowing for potential nucleophilic substitutions, while the nitro group can influence its electronic properties and stability. Additionally, the tert-butyl group (1,1-dimethylethyl) enhances the compound's lipophilicity, which can affect its biological activity and interaction with other molecules. Safety data should be consulted for handling and storage, as compounds with nitro and cyano functionalities can pose health risks. Overall, this compound's characteristics make it of interest in both research and industrial applications.
Formula:C12H13N3O4
InChI:InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)8(7-13)10-9(15(17)18)5-4-6-14-10/h4-6,8H,1-3H3
InChI key:InChIKey=JMNLJNCYWRHEBL-UHFFFAOYSA-N
SMILES:C(C(OC(C)(C)C)=O)(C#N)C1=C(N(=O)=O)C=CC=N1
Synonyms:
  • 2-Pyridineacetic acid, α-cyano-3-nitro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl α-cyano-3-nitro-2-pyridineacetate
Sort by
The purity filter is not visible because current products do not have associated purity data for filtering.
Found 1 products.