tert-Butyl 2'-(methylthio)-4'-(((trifluoromethyl)sulfonyl)oxy)-5',8'-dihydro-7'H-spiro[cyclopropane-1,6'-pyrido[3,4-d]pyrimidine]-7'-carboxylate CAS 2608907-06-6
| CAS No. | 2608907-06-6 |
| Molecular Formula | C16H20F3N3O5S2 |
| Molecular Weight | 455.47 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.
tert-Butyl 2'-(methylthio)-4'-(((trifluoromethyl)sulfonyl)oxy)-5',8'-dihydro-7'H-spiro[cyclopropane-1,6'-pyrido[3,4-d]pyrimidine]-7'-carboxylate (CAS 2608907-06-6) is a high-purity analytical reference standard with the molecular formula C16H20F3N3O5S2 and a molecular weight of 455.47 g/mol.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, tert-Butyl 2'-(methylthio)-4'-(((trifluoromethyl)sulfonyl)oxy)-5',8'-dihydro-7'H-spiro[cyclopropane-1,6'-pyrido[3,4-d]pyrimidine]-7'-carboxylate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 455.47 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C16H20F3N3O5S2 |
| Molecular Weight | 455.47 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2001 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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