(1R,4S,5S)-rel-tert-Butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate CAS 615575-67-2
| CAS No. | 615575-67-2 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(1R,4S,5S)-rel-tert-Butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate (CAS 615575-67-2), molecular formula C12H19NO3 and molecular weight 225.28 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (1R,4S,5S)-rel-tert-Butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate (C12H19NO3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 225.28 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), (1R,4S,5S)-rel-tert-Butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-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 | C12H19NO3 |
| Molecular Weight | 225.28 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 1 |
Recommended Standards
- (1R,4S,5R)-rel-5-Acetyl-1-Boc-2-azabicyclo[2.1.1]hexane (CAS 615575-71-8)
- (1R,5S,6r)-tert-Butyl 6-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate (CAS 2075712-96-6)
- Tert-butyl (3-oxospiro[3.3]Heptan-1-yl)carbamate (CAS 1955556-88-3)
- (1S,4R)-tert-Butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate (CAS 2166459-48-7)
- 4-(2-chloroethyl)-1H-1,2,3-triazole hydrochloride (CAS 1803585-43-4)
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