tert-Butyl (8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydrobenzo[b]oxepin-5-yl)carbamate CAS 2412760-61-1
| CAS No. | 2412760-61-1 |
| Molecular Formula | C21H32BNO5 |
| Molecular Weight | 389.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of tert-Butyl (8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydrobenzo[b]oxepin-5-yl)carbamate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
tert-Butyl (8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydrobenzo[b]oxepin-5-yl)carbamate (CAS 2412760-61-1), molecular formula C21H32BNO5 and molecular weight 389.29 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, tert-Butyl (8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydrobenzo[b]oxepin-5-yl)carbamate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 389.29 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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 | C21H32BNO5 |
| Molecular Weight | 389.29 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Nitrogen Atoms | 1 |
Recommended Standards
- N-{4-[(2-Bromoacetyl)amino]phenyl}-4-(tert-butyl)benzamide (CAS 886014-23-9)
- tert-Butyl 3-(2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)phenoxy)pyrrolidine-1-carboxylate (CAS 2096998-07-9)
- N-(4-bromo-3-methylphenyl)-2-(4-(pyridin-2-yl)piperazin-1-yl)acetamide (CAS 329779-66-0)
- tert-butyl 6-Methoxy-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 2230475-23-5)
- 2-(4-(5-Chloro-2-methylphenyl)piperazin-1-yl)-N,N-diphenylacetamide (CAS 1023798-42-6)
- 2-(chloromethyl)-5,6-difluorobenzo[d]oxazole (CAS 944903-29-1)
- 4’-(1H-imidazol-1-ylmethyl)-1,1’-biphenyl-2-carbonitrile (CAS 929973-09-1)
- (4-Iodobenzyl)hydrazine (CAS 51859-97-3)
- 1-(4-Methylbenzyl)-1H-pyrrole-2-carbaldehyde (CAS 946774-42-1)
- 2-Fluoro-3-methyl-5-(trifluoromethyl)phenol (CAS 2383817-73-8)
- Methyl N-(3-chloro-4-fluorophenyl)-N-(methylsulfonyl)glycinate (CAS 831184-33-9)
- (2S,4R)-1-Boc-4-(tert-butyldimethylsilyloxy)-2-(hydroxymethyl)pyrrolidine (CAS 288399-09-7)
- Furosemide Impurity 57 (CAS 19377-82-3)
- MOTS-c Peptide (CAS 1627580-64-6)
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