CAS 1427173-49-6

1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1)

Description:

1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1), with CAS number 1427173-49-6, is a chemical compound characterized by its unique spirocyclic structure, which incorporates a diazabicyclic framework. This compound features a carboxylic acid moiety esterified with a tert-butyl group, enhancing its lipophilicity and potentially influencing its biological activity. The presence of the 4-methylbenzenesulfonate group suggests that it may exhibit sulfonate characteristics, which can affect solubility and reactivity. The compound's structure implies potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of nitrogen atoms that can participate in hydrogen bonding and coordination with biological targets. Additionally, the spirocyclic nature may contribute to conformational rigidity, which is often favorable in drug design. Overall, this compound's unique structural features and functional groups suggest it may possess interesting chemical and biological properties worthy of further investigation.

Formula: C₁₂H₂₂N₂O₂·C₇H₈O₃S

InChI: InChI=1S/C12H22N2O2.C7H8O3S/c1-11(2,3)16-10(15)14-8-5-12(6-9-14)4-7-13-12;1-6-2-4-7(5-3-6)11(8,9)10/h13H,4-9H2,1-3H3;2-5H,1H3,(H,8,9,10)

InChI key: InChIKey=PQOBUOIHPLNISH-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CCC2(CC1)CCN2.S(=O)(=O)(O)C1=CC=C(C)C=C1

Synonyms:

• 1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1)

N-t-BOC-1,7-Diazaspiro[3.5]nonane p-Toluenesulfonate

CAS: 1427173-49-6

N-t-BOC-1,7-Diazaspiro[3.5]nonane p-Toluenesulfonate

Purity: ≥95%

Ref: 54-OR316087