5-Benzyl 1-(tert-butyl) (2R,3aS,7aR)-2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(4H)-dicarboxylate CAS 2178940-99-1

Purity 97%+In StockPharmaceutical Standards
CAS No.2178940-99-1
Molecular FormulaC21H30N2O5
Molecular Weight390.47 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Benzyl 1-(tert-butyl) (2R,3aS,7aR)-2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(4H)-dicarboxylate CAS 2178940-99-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 390.47 g/mol gives 5-Benzyl 1-(tert-butyl) (2R,3aS,7aR)-2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(4H)-dicarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-Benzyl 1-(tert-butyl) (2R,3aS,7aR)-2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(4H)-dicarboxylate (CAS 2178940-99-1) is a high-purity analytical reference standard with the molecular formula C21H30N2O5 and a molecular weight of 390.47 g/mol.

Based on its molecular formula C21H30N2O5, 5-Benzyl 1-(tert-butyl) (2R,3aS,7aR)-2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(4H)-dicarboxylate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 390.47 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

CATO manufactures 5-Benzyl 1-(tert-butyl) (2R,3aS,7aR)-2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(4H)-dicarboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC21H30N2O5
Molecular Weight390.47 g/mol
AppearancePale yellow to 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1998
Nitrogen Atoms2

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