(1S,4S,6R)-5-(tert-butoxycarbonyl)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]Heptane-4-carboxylic acid CAS 1955485-23-0
| CAS No. | 1955485-23-0 |
| Molecular Formula | C12H16F3NO5 |
| Molecular Weight | 311.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(1S,4S,6R)-5-(tert-butoxycarbonyl)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]Heptane-4-carboxylic acid (CAS 1955485-23-0) is a high-purity analytical reference standard with the molecular formula C12H16F3NO5 and a molecular weight of 311.25 g/mol.
The molecular framework of (1S,4S,6R)-5-(tert-butoxycarbonyl)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]Heptane-4-carboxylic acid (C12H16F3NO5) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
Physical & Chemical Properties
| Molecular Formula | C12H16F3NO5 |
| Molecular Weight | 311.25 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 |
| 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.) | 1996 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (5-(piperidin-1-yl)thiophen-2-yl)boronate (CAS 1278579-62-6)
- (1r,4s,6s)-5-(Tert-butoxycarbonyl)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid (CAS 1955485-41-2)
- Nintedanib Impurity 36 (CAS 1160293-27-5)
- 4-Methyl-5-trifluoromethyl-2-(4-trifluoromethyl-phenyl)-thiazole (CAS 1965304-63-5)
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- Nitidine Chloride (CAS 13063-04-2)
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- 4-(p-Tolyloxy)phthalonitrile (CAS 182417-07-8)
- 6-Chloro-N-(4-fluorobenzyl)pyridazin-3-amine (CAS 872102-12-0)
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- 5-(1,1-Dimethylethyl)-2-hydroxy-3-(trimethylsilyl)benzaldehyde (CAS 954382-22-0)
- (1-(1-Methylpiperidin-4-yl)-1H-pyrazol-4-yl)boronic acid (CAS 1428325-32-9)
- Myosin Kinase Inhibiting Peptide (CAS 119386-39-9)
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