tert-Butyl 7-(4-bromophenyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate CAS 1823258-71-4
| CAS No. | 1823258-71-4 |
| Molecular Formula | C17H21BrN2O3 |
| Molecular Weight | 381.26 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 tert-Butyl 7-(4-bromophenyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate.
CATO supplies tert-Butyl 7-(4-bromophenyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (CAS 1823258-71-4), a certified reference material (molecular formula C17H21BrN2O3, MW 381.26 g/mol) for analytical method development and quality control.
Structurally, tert-Butyl 7-(4-bromophenyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (C17H21BrN2O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 381.26 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.
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 | C17H21BrN2O3 |
| Molecular Weight | 381.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Tert-butyl 7-bromo-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate (CAS 1779125-91-5)
- tert-Butyl 2-(5-bromoindolizin-2-yl)morpholine-4-carboxylate (CAS 1956318-14-1)
- tert-Butyl 4-bromo-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate (CAS 1707580-82-2)
- 4-(2-(4-(3,6-Dichloropyridazin-4-yl)piperazin-1-yl)ethoxy)benzaldehyde (CAS 921769-52-0)
- Doripenem-d4 Sodium Salt (CAS CATO-C4X-162110)
- tert-Butyl (3-mercaptophenyl)carbamate (CAS 195622-56-1)
- 2-Chloro-5-((difluoromethyl)sulfonyl)aniline (CAS 329909-67-3)
- 70753-79-6 Ethanol-13C2 MFCD00083950 (CAS 70753-79-6)
- Benzyl 3-hydroxy-3-methylcyclobutane-1-carboxylate (CAS 1455037-38-3)
- Morpholine 2,2,2-trifluoroacetate (CAS 61330-38-9)
- 6-Chloro-4-hydroxycoumarin (CAS 19484-57-2)
- 2-[(4-tert-butylphenyl)formamido]-4-(methylsulfanyl)butanoic acid (CAS 65054-82-2)
- Fmoc-D-iso-Gln (CAS 292150-20-0)
- Semaglutide Impurity 161 (x TFA Salt) (CAS CATO-C4X-2226161)
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