tert-Butyl (4aS,7aS)-4-benzylhexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate CAS 138026-92-3
| CAS No. | 138026-92-3 |
| Molecular Formula | C18H26N2O3 |
| Molecular Weight | 318.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of tert-Butyl (4aS,7aS)-4-benzylhexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate (C18H26N2O3) is characterized by a steroid core, 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
tert-Butyl (4aS,7aS)-4-benzylhexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate (CAS 138026-92-3), molecular formula C18H26N2O3 and molecular weight 318.41 g/mol, is a CATO reference standard with documented purity and traceability.
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 Formula | C18H26N2O3 |
| Molecular Weight | 318.41 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Nitrogen Atoms | 2 |
Recommended Standards
- tert-Butyl (2-(1,2,3,4-tetrahydronaphthalene-1-carboxamido)ethyl)carbamate (CAS 1371788-45-2)
- Cis-Tert-Butyl 4-Benzylhexahydropyrrolo[3,4-B][1,4]Oxazine-6(2H)-Carboxylate (CAS 138027-01-7)
- tert-butyl 4-benzyl-octahydropyrrolo[3,4-b]morpholine-6-carboxylate (CAS 1358783-18-2)
- TERT-BUTYL 4-(N-METHYLBENZAMIDO)PIPERIDINE-1-CARBOXYLATE (CAS 1383342-71-9)
- N-(pyrimidin-2-ylmethyl)piperidin-4-amine (CAS 2273737-53-2)
- 2-(6-chloropyridin-3-yl)acetohydrazide (CAS 846548-86-5)
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- 3-(Dimethylsulfamoyl)thiophene-2-carboxylic acid (CAS 944895-25-4)
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- Ethyl 5-(4-chlorophenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 300377-47-3)
- (S)-3-(amino(cyclopropyl)methyl)benzonitrile hydrochloride (CAS 1391436-28-4)
- Tirzepatide Impurity 43 (CAS CATO-C4X-324043)
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