CAS 1841081-39-7

Pyrrolo[3,4-d]azepine-2(1H)-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)

Description:

Pyrrolo[3,4-d]azepine-2(1H)-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1) is a chemical compound characterized by its complex bicyclic structure, which includes a pyrrole and azepine ring system. This compound is typically a white to off-white solid and is soluble in polar solvents, reflecting its ionic nature due to the presence of the hydrochloride salt form. The ester functional group contributes to its reactivity, making it a potential candidate for various chemical reactions, including hydrolysis and esterification. The presence of the dimethylethyl group enhances its lipophilicity, which may influence its biological activity and pharmacokinetic properties. As a hydrochloride salt, it is often more stable and easier to handle than its free base form. This compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features that could interact with biological targets. However, specific biological activities and safety profiles would require further investigation through empirical studies.

Formula: C₁₃H₂₄N₂O₂·ClH

InChI: InChI=1S/C13H24N2O2.ClH/c1-13(2,3)17-12(16)15-8-10-4-6-14-7-5-11(10)9-15;/h10-11,14H,4-9H2,1-3H3;1H

InChI key: InChIKey=MECGCBQVVDFPSY-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC2C(C1)CCNCC2.Cl

Synonyms:

• tert-Butyl octahydropyrrolo[3,4-d]azepine-2(1H)-carboxylate hydrochloride
• Pyrrolo[3,4-d]azepine-2(1H)-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)

tert-Butyl octahydropyrrolo[3,4-d]azepine-2(1H)-carboxylate hydrochloride

CAS: 1841081-39-7

Formula: C₁₃H₂₅ClN₂O₂

Purity: 97%

Molecular weight: 276.8028

Ref: IN-DA00I1G6