5-Benzyl 1-(tert-butyl) (2S,3aR,7aS)-2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(4H)-dicarboxylate CAS 2178940-96-8
| CAS No. | 2178940-96-8 |
| Molecular Formula | C21H30N2O5 |
| Molecular Weight | 390.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-Benzyl 1-(tert-butyl) (2S,3aR,7aS)-2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(4H)-dicarboxylate (CAS 2178940-96-8), molecular formula C21H30N2O5 and molecular weight 390.47 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, 5-Benzyl 1-(tert-butyl) (2S,3aR,7aS)-2-(hydroxymethyl)hexahydro-1H-pyrrolo[3,2-c]pyridine-1,5(4H)-dicarboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 390.47 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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 | C21H30N2O5 |
| Molecular Weight | 390.47 g/mol |
| Appearance | Pale yellow to 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Nitrogen Atoms | 2 |
Recommended Standards
- 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)
- 6-(4-Methoxyphenyl)-3,4-dihydro-8H-spiro[cyclohexane-1,2-pyrano[3,2-g]chromen]-8-one hydrazone (CAS 939892-94-1)
- 4-(4-tert-Butylbenzoyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CAS 478078-70-5)
- 9,10-Bis(4-methoxyphenyl)anthracene (CAS 24672-76-2)
- 4-Methanesulfonyl-2-(2-phenylethenesulfonamido)butanoic acid (CAS 1025448-55-8)
- 1-(2-Ethoxyethyl)-2,6-dimethylpiperazine (CAS 1344151-46-7)
- 2-(tert-Butoxy)-4-cyclopropoxy-5-(methylthio)pyridine (CAS 1243455-41-5)
- 4-butoxy-3-iodo-5-methoxybenZaldehyde (CAS 834914-06-6)
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