(3R,6R)-5-(tert-butoxycarbonyl)-1,1-difluoro-5-azaspiro[2.4]Heptane-6-carboxylic acid CAS 2227198-18-5
| CAS No. | 2227198-18-5 |
| Molecular Formula | C12H17F2NO4 |
| Molecular Weight | 277.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 277.26 g/mol gives (3R,6R)-5-(tert-butoxycarbonyl)-1,1-difluoro-5-azaspiro[2.4]Heptane-6-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(3R,6R)-5-(tert-butoxycarbonyl)-1,1-difluoro-5-azaspiro[2.4]Heptane-6-carboxylic acid (CAS 2227198-18-5), molecular formula C12H17F2NO4 and molecular weight 277.26 g/mol, is a CATO reference standard with documented purity and traceability.
(3R,6R)-5-(tert-butoxycarbonyl)-1,1-difluoro-5-azaspiro[2.4]Heptane-6-carboxylic acid (C12H17F2NO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C12H17F2NO4 |
| Molecular Weight | 277.26 g/mol |
| Appearance | Off-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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- ((Benzylamino)(phenyl)methyl)phosphonic acid (CAS 25881-35-0)
- (3S,6R)-5-(tert-butoxycarbonyl)-1,1-difluoro-5-azaspiro[2.4]Heptane-6-carboxylic acid (CAS 2227198-38-9)
- tert-Butyl(3,4-dichlorophenoxy)dimethylsilane (CAS 188645-81-0)
- (3S,6S)-5-(tert-Butoxycarbonyl)-1,1-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid (CAS 1980007-35-9)
- 1-[4-(Difluoromethoxy)-2-fluorophenyl]ethan-1-one (CAS 1180016-06-1)
- Androst-16-en-3-ol (CAS 7148-51-8)
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