(2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromophenyl)methanone CAS 898755-99-2
| CAS No. | 898755-99-2 |
| Molecular Formula | C21H22BrNO3 |
| Molecular Weight | 416.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromophenyl)methanone.
(2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromophenyl)methanone (CAS 898755-99-2), molecular formula C21H22BrNO3 and molecular weight 416.31 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromophenyl)methanone (C21H22BrNO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine 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 416.31 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C21H22BrNO3 |
| Molecular Weight | 416.31 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Dioxa Standards
- (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-bromophenyl)methanone (CAS 898755-97-0)
- (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-bromophenyl)methanone (CAS 898761-69-8)
- (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromophenyl)methanone (CAS 898761-71-2)
- (4-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-bromophenyl)methanone (CAS 898757-76-1)
- (4-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromophenyl)methanone (CAS 898757-78-3)
- Ethyl 8-(2-((1,4-dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)-8-oxooctanoate (CAS 898781-35-6)
- Ethyl 8-(3-((1,4-dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)-8-oxooctanoate (CAS 898762-68-0)
- Ethyl 8-(4-((1,4-dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)-8-oxooctanoate (CAS 898782-16-6)
Recommended Standards
- (S)-3-(4-(4-bromobutoxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid (CAS 1579942-12-3)
- 5-Bromo-N-(4-(2-methoxyphenoxy)but-2-yn-1-yl)thiophene-2-sulfonamide (CAS 1428350-30-4)
- di-tert-Butyl 3-bromo-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate (CAS 1330766-42-1)
- Trazodone EP Impurity D (CAS 1263358-13-9)
- 2-(1-Benzyl-1H-imidazol-2-yl)ethan-1-amine (CAS 408353-06-0)
- 4-([(4-Methylphenyl)sulfanyl]methyl)piperidine hydrochloride (CAS 1211495-47-4)
- 2-Bromo-1-(3-ethylpyrazin-2-yl)ethanone (CAS 594813-45-3)
- (S)-2-Amino-3-methyl-N-((S)-1-methyl-piperidin-3-yl)-butyramide (CAS 1401668-59-4)
- 11a,17β-Dihydroxy-2-(hydroxymethylene)-17-methyl-androst-4-en-3-one (CAS 2384-26-1)
- N-(2-((5-(4-Chlorophenyl)-1H-imidazol-2-yl)thio)ethyl)pivalamide (CAS 897456-52-9)
- 1-(2-Oxo-2-(p-tolylamino)ethyl)piperidine-4-carboxylic acid hydrochloride (CAS 1351606-89-7)
- 4-[4-(aminomethyl)-1,3-oxazol-2-yl]benzonitrile (CAS 1500937-19-8)
- 4'-Chloro-[1,1'-biphenyl]-2-sulfonylchloride (CAS 887344-37-8)
- Liraglutide Impurity 6 TFA Salt (CAS CATO-C4X-19926)
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