tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate CAS 851376-80-2

Purity 97%+In StockPharmaceutical Standards
CAS No.851376-80-2
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate CAS 851376-80-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 253.30 g/mol gives tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate (CAS 851376-80-2) is a high-purity analytical reference standard with the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol.

The molecular framework of tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate (C12H19N3O3) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), tert-Butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3

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