2-[2,4-Bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-p-tolyl)butyramide CAS 31037-84-0
| CAS No. | 31037-84-0 |
| Molecular Formula | C27H37Cl2NO3 |
| Molecular Weight | 494.49 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.
2-[2,4-Bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-p-tolyl)butyramide (CAS 31037-84-0), molecular formula C27H37Cl2NO3 and molecular weight 494.49 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-[2,4-Bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-p-tolyl)butyramide (C27H37Cl2NO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 494.49 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C27H37Cl2NO3 |
| Molecular Weight | 494.49 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, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1965 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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