(R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate CAS 929095-36-3
| CAS No. | 929095-36-3 |
| Molecular Formula | C27H27F3N2O7S |
| Molecular Weight | 580.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 580.57 g/mol gives (R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate (CAS 929095-36-3), molecular formula C27H27F3N2O7S and molecular weight 580.57 g/mol, is a CATO reference standard with documented purity and traceability.
(R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate (C27H27F3N2O7S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C27H27F3N2O7S |
| Molecular Weight | 580.57 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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