Methyl 1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate CAS 80845-58-5
| CAS No. | 80845-58-5 |
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate (CAS 80845-58-5), molecular formula C14H17NO2 and molecular weight 231.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate (C14H17NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 231.29 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
As a certified reference material (CRM), Methyl 1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.29 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1980 |
| Nitrogen Atoms | 1 |
Recommended Standards
- Methyl (R)-4-(1H-indol-3-yl)-2-methylbutanoate (CAS 97399-93-4)
- Methyl 2-((1-(3-hydroxypropyl)piperidin-4-yl)oxy)acetate (CAS 2725904-34-5)
- Methyl (R)-4-((tert-butoxycarbonyl)amino)pentanoate (CAS 383427-72-3)
- Methyl 2-(tert-butyl)-1H-indole-3-carboxylate (CAS 773875-68-6)
- 6-Chloro-2-(3-fluorophenyl)-4H-chromen-4-one (CAS 213894-72-5)
- 4-(Trifluoromethoxy)indoline-2,3-dione (CAS 959236-54-5)
- 6'-methoxyspiro[azetidine-3,1'-indane] (CAS 1780629-66-4)
- (2-Chloro-3-methylphenyl)methanol (CAS 61563-27-7)
- Tert-butyl 4-(3-cyanophenyl)-3,6-dihydropyridine-1(2H)-carboxylate (CAS 370864-42-9)
- 5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CAS 920979-05-1)
- 2-Ethoxy-5-fluoroisonicotinaldehyde (CAS 1809157-93-4)
- 4,4'-Ddd (CAS 72-54-8)
- N-[4-(Pentyloxy)benzyl](3-pyridinyl)methanamine (CAS 1038257-59-8)
- Semaglutide impurity 200 (CAS CATO-C4X-2226200)
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