N-tert-Butyl-2-(3,5-dichlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS 318517-26-9
| CAS No. | 318517-26-9 |
| Molecular Formula | C21H22Cl2N2O2 |
| Molecular Weight | 405.32 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.
N-tert-Butyl-2-(3,5-dichlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 318517-26-9), molecular formula C21H22Cl2N2O2 and molecular weight 405.32 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-tert-Butyl-2-(3,5-dichlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (C21H22Cl2N2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 405.32 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C21H22Cl2N2O2 |
| Molecular Weight | 405.32 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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