Tert-butyl (S)-4-(4-chlorobenzyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide CAS 1104072-57-2
| CAS No. | 1104072-57-2 |
| Molecular Formula | C14H18ClNO5S |
| Molecular Weight | 347.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 347.81 g/mol gives Tert-butyl (S)-4-(4-chlorobenzyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Tert-butyl (S)-4-(4-chlorobenzyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide (CAS 1104072-57-2) is a high-purity analytical reference standard with the molecular formula C14H18ClNO5S and a molecular weight of 347.81 g/mol.
Structurally, Tert-butyl (S)-4-(4-chlorobenzyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide (C14H18ClNO5S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine 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 347.81 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C14H18ClNO5S |
| Molecular Weight | 347.81 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.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- 2-Chloro-N-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide (CAS 1091172-12-1)
- Tert-butyl (S)-4-(3-chlorobenzyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide (CAS 1105712-08-0)
- 2-Chloro-4-fluoro-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzamide (CAS 1091041-24-5)
- (E)-N-(3-chlorobenzyl)-3-(4-(3-fluoropropoxy)phenyl)acrylamide (CAS 1164495-66-2)
- (3R,4R)-tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylate (CAS 1007596-95-3)
- 4-Chloro-6-ethylquinoline (CAS 188758-77-2)
- 2-Hydrazinyl-4-methylthiazole (CAS 78886-45-0)
- 1,3-Dibromo-2-(difluoromethoxy)benzene (CAS 1182728-50-2)
- n-(Adamantan-1-ylmethyl)-2-chloroacetamide (CAS 81099-48-1)
- 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 5-methylfuran-2-carboxylate (CAS 749868-60-8)
- 1,4-Diaminocyclohexane (CAS 3114-70-3)
- 3-Ethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol (CAS 1105191-09-0)
- 3-((Tetrahydro-2h-pyran-4-yl)amino)benzonitrile (CAS 1157008-70-2)
- Semaglutide Impurity 184 (CAS CATO-C4X-2226184)
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