(1S,4R)-tert-Butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate CAS 2166459-48-7
| CAS No. | 2166459-48-7 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of (1S,4R)-tert-Butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate (C12H19NO3) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
CATO supplies (1S,4R)-tert-Butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate (CAS 2166459-48-7), a certified reference material (molecular formula C12H19NO3, MW 225.28 g/mol) for analytical method development and quality control.
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), (1S,4R)-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.) | 1998 |
| Nitrogen Atoms | 1 |
Recommended Standards
- (1R,5S,6r)-tert-Butyl 6-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate (CAS 2075712-96-6)
- (R)-1-(3,4,5-trimethoxyphenyl)propan-1-amine (CAS 239105-44-3)
- (1R,4S,5S)-rel-tert-Butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate (CAS 615575-67-2)
- (R)-Terbutaline hemisulfate (CAS 37394-31-3)
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