Methyl N-(3-chlorophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate CAS 418806-87-8
| CAS No. | 418806-87-8 |
| Molecular Formula | C16H16ClNO4S |
| Molecular Weight | 353.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl N-(3-chlorophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate (CAS 418806-87-8) is a high-purity analytical reference standard with the molecular formula C16H16ClNO4S and a molecular weight of 353.82 g/mol.
The molecular framework of Methyl N-(3-chlorophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate (C16H16ClNO4S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H16ClNO4S |
| Molecular Weight | 353.82 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- Methyl N-(3-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate (CAS 362713-12-0)
- Methyl N-(4-chlorophenyl)-N-tosylglycinate (CAS 333447-01-1)
- Methyl N-(2-chlorophenyl)-N-tosylglycinate (CAS 335414-58-9)
- Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate (CAS 418804-73-6)
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