3-[[[3,5-Bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione CAS 1570357-02-6
| CAS No. | 1570357-02-6 |
| Molecular Formula | C21H23F6N3O2 |
| Molecular Weight | 463.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-[[[3,5-Bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione (C21H23F6N3O2) contains a steroid core, 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.
CATO supplies 3-[[[3,5-Bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione (CAS 1570357-02-6), a certified reference material (molecular formula C21H23F6N3O2, MW 463.42 g/mol) for analytical method development and quality control.
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 | C21H23F6N3O2 |
| Molecular Weight | 463.42 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Bis Standards
- 3-[[[3,5-Bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione (CAS 1449676-73-6)
- 2-(5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl)-N-(4-chlorophenyl)-2-methylhydrazine-1-carboxamide (CAS 320417-46-7)
- N1-[3-(trifluoromethyl)phenyl]-2-{[5-(2,6-dichloro-4-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide (CAS 680216-62-0)
- 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile (CAS 677749-56-3)
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- 2-{[3,5-di(trifluoromethyl)anilino]methylidene}-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (CAS 649578-87-0)
- 1,2-Bis(trifluoromethyl)-4,5-diiodobenzene (CAS 1805519-29-2)
- 2,2'-(2,5-Bis(trifluoromethyl)-1,4-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) (CAS 1073339-16-8)
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