tert-Butyl(1S,4S,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate CAS 2852760-70-2
| CAS No. | 2852760-70-2 |
| Molecular Formula | C12H20INO2 |
| Molecular Weight | 337.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C12H20INO2, tert-Butyl(1S,4S,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 337.20 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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(1S,4S,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate (CAS 2852760-70-2), molecular formula C12H20INO2 and molecular weight 337.20 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.
As a certified reference material (CRM), tert-Butyl(1S,4S,5R)-5-iodo-2-azabicyclo[2.2.2]octane-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 | C12H20INO2 |
| Molecular Weight | 337.20 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- tert-Butyl(1R,5S,8r)-8-iodo-3-azabicyclo[3.2.1]octane-3-carboxylate (CAS 2852760-66-6)
- Empagliflozin Impurity 155 (CAS CATO-C4X-1065155)
- tert-Butyl(1R,4R,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate (CAS 2852761-13-6)
- 1-[(2-Fluoro-5-bromo-4-methylsulfonyl)phenyl]-piperazine (CAS 1020722-16-0)
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