6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate CAS 691868-46-9
| CAS No. | 691868-46-9 |
| Molecular Formula | C12H13BrN2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate (CAS 691868-46-9) is a high-purity analytical reference standard with the molecular formula C12H13BrN2O2C2HF3O2 and a molecular weight of 411.17 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 411.17 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C12H13BrN2O2 C2HF3O2 |
| Molecular Weight | 411.17 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromospiro Standards
- 2-bromospiro[3.3]heptane (CAS 102115-82-2)
- 2'-Bromospiro[[1,3]dithiolane-2,9'-fluorene] (CAS 113425-37-9)
- 5'-Bromospiro[[1,3]dithiolane-2,3'-indolin]-2'-one (CAS 113549-10-3)
- 5'-Bromospiro[cyclopentane-1,3'-indoline] (CAS 1160247-93-7)
- 6-Bromospiro[indoline-3,4'-piperidin]-2-one (CAS 1160248-48-5)
- 1'-Acetyl-6-bromospiro[indoline-3,4'-piperidin]-2-one (CAS 1160248-50-9)
- 5-Bromospiro[benzo[c]fluorene-7,9'-fluorene] (CAS 1175203-78-7)
- 6'-Bromospiro[cyclobutane-1,3'-indolin]-2'-one (CAS 1190861-39-2)
Recommended Standards
- 3-Methyl-2-(propan-2-yl)butanoic acid (CAS 32118-53-9)
- 1-(4-Bromo-2-ethoxyphenyl)ethan-1-one (CAS 1553597-45-7)
- 1-Methylazepane-2-carboxylic acid (CAS 5227-51-0)
- 6-Chloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine (CAS 1805337-59-0)
- O-Methyl 3-oxopyrazolidine-1-carbothioate (CAS 51356-41-3)
- 6-Aminomethyl-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester (CAS 1086392-26-8)
- (1R,2R)-Bis[(2-methoxyphenyl)phenylphosphino]ethane Diborane (CAS 131830-91-6)
- 1-(4-Isopropylphenyl)-6-mercapto-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 1416348-10-1)
- (E)-3-(3-chlorothiophen-2-yl)acrylic acid (CAS 1428227-36-4)
- Glucagon Monohydrochloride (CAS 28270-04-4)
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