4-tert-Butyl-3-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-1,3,4-benzotriazepine-2,5-dione CAS 866157-57-5
| CAS No. | 866157-57-5 |
| Molecular Formula | C20H23N3O3 |
| Molecular Weight | 353.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-tert-Butyl-3-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-1,3,4-benzotriazepine-2,5-dione (CAS 866157-57-5), molecular formula C20H23N3O3 and molecular weight 353.41 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, 4-tert-Butyl-3-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-1,3,4-benzotriazepine-2,5-dione is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 353.41 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C20H23N3O3 |
| Molecular Weight | 353.41 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
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