N-[(1S,2S)-1-[(Diphenylphosphino)methyl]-2-methylbutyl]-3,5-bis(trifluoromethyl)benzamide CAS 1239019-66-9
| CAS No. | 1239019-66-9 |
| Molecular Formula | C27H26F6NOP |
| Molecular Weight | 525.47 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.
CATO supplies N-[(1S,2S)-1-[(Diphenylphosphino)methyl]-2-methylbutyl]-3,5-bis(trifluoromethyl)benzamide (CAS 1239019-66-9), a certified reference material (molecular formula C27H26F6NOP, MW 525.47 g/mol) for analytical method development and quality control.
Based on its molecular formula C27H26F6NOP, N-[(1S,2S)-1-[(Diphenylphosphino)methyl]-2-methylbutyl]-3,5-bis(trifluoromethyl)benzamide contains a steroid core, an amide group, organophosphorus functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 525.47 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.
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 | C27H26F6NOP |
| Molecular Weight | 525.47 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Aztreonam Impurity 93 (CAS CATO-C4X-152293)
- (S)-N-(1-(Diphenylphosphino)-3,3-dimethylbutan-2-yl)-3,5-bis(trifluoromethyl)benzamide (CAS 1239020-07-5)
- Aprepitant impurity 56 (CAS CATO-C4X-114156)
- (S)-N-(1-(diphenylphosphanyl)-3-methylbutan-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide (CAS 1451090-98-4)
- 3-((3-Chloro-4-methylphenyl)amino)-1-(thiophen-2-yl)propan-1-one (CAS 333352-66-2)
- 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 3,3-dimethylbutanoate (CAS 1894176-78-3)
- N-(Furan-2-ylmethyl) 4-(4-bromopyrazol-1-yl)benzenesulfonamide (CAS 1199773-46-0)
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Why CATO?
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