CAS 868047-75-0

Ethyl 2-bromo-6-(1,1-dimethylethyl)-3-hydroxy-4-pyridinecarboxylate

Description:

Ethyl 2-bromo-6-(1,1-dimethylethyl)-3-hydroxy-4-pyridinecarboxylate is a chemical compound characterized by its pyridine ring, which is substituted at various positions. The presence of a bromine atom at the 2-position and a bulky tert-butyl group at the 6-position contributes to its unique reactivity and steric properties. The 3-hydroxy group enhances its potential for hydrogen bonding, which can influence its solubility and interaction with biological systems. As an ester, it features an ethyl group attached to the carboxylate, which can affect its volatility and reactivity in esterification or hydrolysis reactions. This compound may exhibit interesting pharmacological properties due to its structural features, making it a candidate for further research in medicinal chemistry. Its CAS number, 868047-75-0, allows for precise identification in chemical databases and literature. Overall, the combination of halogenation, hydroxy functionality, and the presence of a pyridine ring makes this compound noteworthy in synthetic and medicinal chemistry contexts.

Formula: C₁₂H₁₆BrNO₃

InChI: InChI=1S/C12H16BrNO3/c1-5-17-11(16)7-6-8(12(2,3)4)14-10(13)9(7)15/h6,15H,5H2,1-4H3

InChI key: InChIKey=XUIOCCIHGLBVLA-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C=C(C(C)(C)C)N=C(Br)C1O

Synonyms:

• 4-Pyridinecarboxylic acid, 2-bromo-6-(1,1-dimethylethyl)-3-hydroxy-, ethyl ester
• Ethyl 2-bromo-6-(1,1-dimethylethyl)-3-hydroxy-4-pyridinecarboxylate
• 2-Bromo-6-tert-butyl-3-hydroxyisonicotinic acid ethyl ester