(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1,4-dihydroquinazoline-3(2H)-carboxylate CAS 131780-47-7

Purity 97%+In StockPharmaceutical Standards
CAS No.131780-47-7
Molecular FormulaC17H21N3O3
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1,4-dihydroquinazoline-3(2H)-carboxylate CAS 131780-47-7 chemical structure

Description

The occurrence of (1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1,4-dihydroquinazoline-3(2H)-carboxylate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1,4-dihydroquinazoline-3(2H)-carboxylate (CAS 131780-47-7), molecular formula C17H21N3O3HCl and molecular weight 351.83 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1,4-dihydroquinazoline-3(2H)-carboxylate (C17H21N3O3HCl) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 351.83 g/mol, it falls into the moderately-high-molecular-weight range. 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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC17H21N3O3 HCl
Molecular Weight351.83 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1994
Halogen ContentCl-containing
Nitrogen Atoms3

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