3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-1,2-diphenyl-2-(1-piperidinyl)ethyl]amino]-3-cyclobutene-1,2-dione CAS 1454257-32-9
| CAS No. | 1454257-32-9 |
| Molecular Formula | C31H27F6N3O2 |
| Molecular Weight | 587.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-1,2-diphenyl-2-(1-piperidinyl)ethyl]amino]-3-cyclobutene-1,2-dione (CAS 1454257-32-9) is a high-purity analytical reference standard with the molecular formula C31H27F6N3O2 and a molecular weight of 587.56 g/mol.
Based on its molecular formula C31H27F6N3O2, 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-1,2-diphenyl-2-(1-piperidinyl)ethyl]amino]-3-cyclobutene-1,2-dione contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 587.56 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-1,2-diphenyl-2-(1-piperidinyl)ethyl]amino]-3-cyclobutene-1,2-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C31H27F6N3O2 |
| Molecular Weight | 587.56 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Bis Standards
- 3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((1S,2S)-1,2-diphenyl-2-(piperidin-1-yl)ethyl)amino)cyclobut-3-ene-1,2-dione (CAS 1943732-17-9)
- (2-(1-(3,5-Bis(trifluoromethyl)benzyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)pyridin-3-yl)(2-chlorophenyl)methanone (CAS 622370-35-8)
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- 3-[4-[[2,4-Bis(trifluoromethyl)benzyl]oxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide (CAS 725247-18-7)
- 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[(9R)-cinchonan-9-ylamino]-3-cyclobutene-1,2-dione (CAS 1256245-82-5)
- 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[(8α,9S)-cinchonan-9-ylamino]-3-cyclobutene-1,2-dione (CAS 1256245-86-9)
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