Tert-butyl (S)-4-(4-bromophenyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide CAS 1379546-69-6
| CAS No. | 1379546-69-6 |
| Molecular Formula | C13H16BrNO5S |
| Molecular Weight | 378.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Tert-butyl (S)-4-(4-bromophenyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide (CAS 1379546-69-6), a certified reference material (molecular formula C13H16BrNO5S, MW 378.24 g/mol) for analytical method development and quality control.
Structurally, Tert-butyl (S)-4-(4-bromophenyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide (C13H16BrNO5S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 378.24 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), Tert-butyl (S)-4-(4-bromophenyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H16BrNO5S |
| Molecular Weight | 378.24 g/mol |
| 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- Lesinurad Impurity 8 (CAS 1158970-49-0)
- Tert-butyl (S)-4-(3-bromophenyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide (CAS 1379546-88-9)
- tert-Butyl (4-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate (CAS 2377609-03-3)
- (4-Bromo-2-fluorophenyl)(3-(morpholinomethyl)phenyl)methanone (CAS 898792-04-6)
- Boc-Ile-OH (CAS 13139-16-7)
- S-(2-bromoethyl) ethanethioate (CAS 927-70-8)
- 2-(1-chloroethyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (CAS 1156191-87-5)
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- 3-(4-Chloro-2-methylphenyl)propiolic acid (CAS 1403568-21-7)
- Neuroendocrine Regulatory Peptide-4 (human, mouse, rat) (H-7266.1000) (CAS 922704-18-5)
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