CAS 65321-36-0

tert-butyl pyridine-3-carboxylate

Description:

Tert-butyl pyridine-3-carboxylate is an organic compound characterized by its pyridine ring, which is a six-membered aromatic ring containing one nitrogen atom. The tert-butyl group, a branched alkyl group, contributes to the compound's steric bulk and influences its solubility and reactivity. The carboxylate functional group indicates that the compound is a derivative of pyridine-3-carboxylic acid, where the hydrogen of the carboxylic acid has been replaced by a tert-butyl ester. This substitution typically enhances the compound's stability and alters its polarity. Tert-butyl pyridine-3-carboxylate is often used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its properties, such as boiling point, melting point, and solubility, can vary based on the specific conditions and the presence of other functional groups. Overall, this compound exemplifies the diverse chemistry of pyridine derivatives, showcasing their utility in various chemical applications.

Formula: C₁₀H₁₃NO₂

InChI: InChI=1/C10H13NO2/c1-10(2,3)13-9(12)8-5-4-6-11-7-8/h4-7H,1-3H3

SMILES: CC(C)(C)OC(=O)c1cccnc1

Synonyms:

• 3-Pyridinecarboxylic Acid, 1,1-Dimethylethyl Ester
• tert-Butyl nicotinate

tert-Butyl pyridine-3-carboxylate

CAS: 65321-36-0

Tert-butyl pyridine-3-carboxylate is a synthetic precursor to the anti-HIV drug, 3,4-dihydro-2(1H)-quinolinone. It is an activated molecule that can be used in organic synthesis as an amide or ester activator for the formation of amides and esters from carboxylic acids. Tert-butyl pyridine-3-carboxylate binds to the e3 ubiquitin ligase, which prevents its ability to interact with other proteins such as HIV protease. This drug also has a proton at the methyl nicotinate nitrogen atom, which may contribute to its activity against HIV.

Formula: C₁₀H₁₃NO₂

Purity: Min. 95%

Molecular weight: 179.22 g/mol

Ref: 3D-QCA32136