tert-Butyl 4-(difluoromethyl)-1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate CAS 2649757-01-5
| CAS No. | 2649757-01-5 |
| Molecular Formula | C12H19F2NO3 |
| Molecular Weight | 263.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies tert-Butyl 4-(difluoromethyl)-1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate (CAS 2649757-01-5), a certified reference material (molecular formula C12H19F2NO3, MW 263.28 g/mol) for analytical method development and quality control.
Based on its molecular formula C12H19F2NO3, tert-Butyl 4-(difluoromethyl)-1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 263.28 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C12H19F2NO3 |
| Molecular Weight | 263.28 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Tert-butyl (3S,6S)-1,1-difluoro-6-(hydroxymethyl)-5-azaspiro[2.4]Heptane-5-carboxylate (CAS 2306249-09-0)
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- Tert-butyl (3R,6S)-1,1-difluoro-6-(hydroxymethyl)-5-azaspiro[2.4]Heptane-5-carboxylate (CAS 2306255-50-3)
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- (E)-2-((4-oxo-4-phenylbut-2-en-2-yl)amino)acetonitrile (CAS 56464-51-8)
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