CAS 502133-49-5

2-[4-(tert-butoxycarbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid

Description:

2-[4-(tert-butoxycarbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid is a chemical compound characterized by its complex structure, which includes a pyridine ring and a diazepane moiety. The presence of the tert-butoxycarbonyl (Boc) group indicates that this compound is likely used in organic synthesis, particularly in the protection of amines during chemical reactions. The carboxylic acid functional group contributes to its acidity and potential reactivity, allowing for various chemical transformations. This compound may exhibit biological activity due to its structural features, making it of interest in medicinal chemistry. Its solubility and stability can vary depending on the solvent and conditions, which is important for its application in laboratory settings. The CAS number 502133-49-5 uniquely identifies this substance, facilitating its recognition in chemical databases and literature. Overall, this compound represents a versatile building block in synthetic organic chemistry, with potential applications in drug development and other fields.

Formula: C₁₆H₂₃N₃O₄

InChI: InChI=1/C16H23N3O4/c1-16(2,3)23-15(22)19-9-5-8-18(10-11-19)13-12(14(20)21)6-4-7-17-13/h4,6-7H,5,8-11H2,1-3H3,(H,20,21)

SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)c1c(cccn1)C(=O)O

Synonyms:

• 1H-1,4-diazepine-1-carboxylic acid, 4-(3-carboxy-2-pyridinyl)hexahydro-, 1-(1,1-dimethylethyl) ester
• 2-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)nicotinic acid
• 2-[4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl]nicotinic acid

2-{4-[(tert-butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid

CAS: 502133-49-5

Formula: C₁₆H₂₃N₃O₄

Purity: 95.0%

Molecular weight: 321.377

Ref: 10-F526215