3,3,7,8-Tetramethyl-11-(2-(trifluoromethyl)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one CAS 330957-99-8
| CAS No. | 330957-99-8 |
| Molecular Formula | C24H25F3N2O |
| Molecular Weight | 414.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3,3,7,8-Tetramethyl-11-(2-(trifluoromethyl)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 330957-99-8), a certified reference material (molecular formula C24H25F3N2O, MW 414.46 g/mol) for analytical method development and quality control.
The molecular framework of 3,3,7,8-Tetramethyl-11-(2-(trifluoromethyl)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (C24H25F3N2O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
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 | C24H25F3N2O |
| Molecular Weight | 414.46 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- N-(1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-phenylethyl)-3-nitroaniline (CAS 129882-06-0)
- B-Tribromoborazine, min. 95% (CAS 13703-88-3)
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- Felodipine Impurity 12 (CAS 74073-22-6)
- 2-(Ethylamino)-3-(1h-imidazol-1-yl)propanamide (CAS 1248745-95-0)
- Ethyl 3-(phenylamino)benzoate (CAS 1369265-53-1)
- Ethyl 8-fluoro-3-methylcinnoline-6-carboxylate (CAS 2721376-56-1)
- Semaglutide Impurity 163 (x TFA Salt) (CAS CATO-C4X-2226163)
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