tert-Butyl (S)-(5-methyl-4-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate CAS 2820450-40-4
| CAS No. | 2820450-40-4 |
| Molecular Formula | C21H31BN2O6 |
| Molecular Weight | 418.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
tert-Butyl (S)-(5-methyl-4-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate (CAS 2820450-40-4), molecular formula C21H31BN2O6 and molecular weight 418.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl (S)-(5-methyl-4-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate (C21H31BN2O6) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.5, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 418.29 g/mol, it falls into the moderately-high-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C21H31BN2O6 |
| Molecular Weight | 418.29 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Nitrogen Atoms | 2 |
Recommended Standards
- tert-Butyl (3-cyano-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiophen-2-yl)carbamate (CAS 2761968-90-3)
- N-(4-(4,5-dichloro-1H-imidazol-1-yl)phenyl)naphthalene-2-sulfonamide (CAS 1023356-72-0)
- (1-(tert-butoxycarbonyl)-5-((4,4-dimethoxypiperidin-1-yl)methyl)-1H-indol-2-yl)boronic acid (CAS 913388-69-9)
- Bis(4-carboxyphenyl)(4-trifluoromethylphenyl)phosphine (CAS 1808959-37-6)
- N-(2-(Furan-2-yl)phenyl)-3-(trifluoromethyl)benzenesulfonamide (CAS 663595-93-5)
- 2-((3-Allyl-2-hydroxybenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 324059-29-2)
- Methyl 2-bromo-4-cyano-6-(difluoromethyl)benzoate (CAS 1805594-01-7)
- 2-(2-Methoxyphenyl)-4(3H)-quinazolinone (CAS 1028-96-2)
- tert-butyl 4-[(pyridin-3-yl)amino]piperidine-1-carboxylate (CAS 301225-52-5)
- 2-(1-benzothiophen-3-yl)ethan-1-amine hydrochloride (CAS 19985-71-8)
- 2-(cyclopropoxy)acetic acid (CAS 246869-07-8)
- N-(4-Bromo-2-nitrophenyl)-2-chloropropanamide (CAS 868771-26-0)
- 1-(3-Hydroxyazetidin-1-yl)-2-(m-tolyl)ethan-1-one (CAS 1340033-86-4)
- [Ser]8-Acetylated Semaglutide (CAS CATO-C4X-2226218)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com