Ethyl 1'-(pyrimidin-2-yl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate CAS 303152-98-9

Purity 97%+In StockPharmaceutical Standards
CAS No.303152-98-9
Molecular FormulaC17H22N4O5
Molecular Weight362.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 1'-(pyrimidin-2-yl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate CAS 303152-98-9 chemical structure

Description

The occurrence of Ethyl 1'-(pyrimidin-2-yl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Ethyl 1'-(pyrimidin-2-yl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate (CAS 303152-98-9) is a high-purity analytical reference standard with the molecular formula C17H22N4O5 and a molecular weight of 362.38 g/mol.

Structurally, Ethyl 1'-(pyrimidin-2-yl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate (C17H22N4O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 362.38 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC17H22N4O5
Molecular Weight362.38 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms4

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