tert-Butyl(1R,4R,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate CAS 2852761-13-6
| CAS No. | 2852761-13-6 |
| Molecular Formula | C12H20INO2 |
| Molecular Weight | 337.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl(1R,4R,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate (CAS 2852761-13-6) is a high-purity analytical reference standard with the molecular formula C12H20INO2 and a molecular weight of 337.20 g/mol.
The molecular framework of tert-Butyl(1R,4R,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate (C12H20INO2) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution. 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | 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 N-[2-(3-iodo-1-bicyclo[1.1.1]pentanyl)ethyl]carbamate (CAS 2242693-93-0)
- tert-Butyl(1R,5S,8r)-8-iodo-3-azabicyclo[3.2.1]octane-3-carboxylate (CAS 2852760-66-6)
- tert-butyl exo-3-iodo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS 2750168-72-8)
- tert-Butyl(1S,4S,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate (CAS 2852760-70-2)
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