CAS 76014-83-0

4-Hydroxy-4-(3-pyridyl)-butanol

Description:

4-Hydroxy-4-(3-pyridyl)-butanol, with the CAS number 76014-83-0, is an organic compound characterized by its hydroxyl and pyridine functional groups. This compound features a butanol backbone, which contributes to its alcohol properties, while the presence of a pyridine ring introduces heterocyclic characteristics, influencing its reactivity and potential biological activity. It is typically a colorless to pale yellow liquid or solid, depending on its form and purity. The hydroxyl group (-OH) makes it soluble in water and polar solvents, enhancing its potential applications in pharmaceuticals and chemical synthesis. The pyridine moiety can participate in various chemical reactions, such as nucleophilic substitutions and coordination with metal ions. Additionally, compounds like this one may exhibit interesting pharmacological properties, including potential use as intermediates in drug development or as active pharmaceutical ingredients. Overall, 4-Hydroxy-4-(3-pyridyl)-butanol is a versatile compound with significant implications in both synthetic chemistry and medicinal applications.

Formula: C₉H₁₃NO₂

InChI: InChI=1S/C9H13NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9,11-12H,2,4,6H2

InChI key: InChIKey=RGJHRVMTLGLFPX-UHFFFAOYSA-N

SMILES: C(CCCO)(O)C=1C=CC=NC1

Synonyms:

• 1,4-Butanediol, 1-(3-Pyridinyl)-
• 1-(3-Pyridinyl)-1,4-butanediol
• 1-(3-Pyridyl)-1,4-butanediol
• 4-Hydroxy-4-(3-pyridyl)-butan-1-ol
• 4-Hydroxy-4-(3-pyridyl)-butanol

1-(3-Pyridyl)-1,4-butanediol

Controlled Product

CAS: 76014-83-0

Formula: C₉H₁₃NO₂

Color and Shape: Neat

Molecular weight: 167.20

Ref: TR-P992500

1-(3-Pyridyl-d4)-1,4-butanediol

Controlled Product

CAS: 76014-83-0

Applications 1-(3-Pyridyl-d4)-1,4-butanediol is the labeled analogue of 1-(3-Pyridyl)-1,4-butanediol (P992500), a metabloite of NNK (M325750), a carcinogen that readily produces cancer in rats and hamsters.
References Koenigs, L., et al.: Drug Metab. Dispos., 25, 1407 (1997); Gu, J., et al.: Toxicol. Appl. Pharmacol., 165, 158 (2000); Jalas, J., et al.: Chem. Res. Toxicol., 18, 95(2005); Zhu, L., et al.: Drug Metab. Dispos., 34, 1672(2006)

Formula: C₉H₉D₄NO₂

Color and Shape: Neat

Molecular weight: 171.23

Ref: TR-P992504

1-(3-Pyridyl-13C3, 15N)-1,4-butanediol

Controlled Product

CAS: 76014-83-0

Formula: C₆C₃H₁₃NO₂

Color and Shape: Neat

Molecular weight: 171.18

Ref: TR-P992502

1-(3-Pyridyl-13C6)-1,4-butanediol

Controlled Product

CAS: 76014-83-0

Formula: C₃₆H₃₆N₄O₈

Color and Shape: Neat

Molecular weight: 173.16

Ref: TR-P992503