4-[(2,4-Dichlorophenyl)methyl]-2-phenylthiomorpholine-3,5-dione CAS 339108-51-9
| CAS No. | 339108-51-9 |
| Molecular Formula | C17H13Cl2NO2S |
| Molecular Weight | 366.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-[(2,4-Dichlorophenyl)methyl]-2-phenylthiomorpholine-3,5-dione is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-[(2,4-Dichlorophenyl)methyl]-2-phenylthiomorpholine-3,5-dione (CAS 339108-51-9), molecular formula C17H13Cl2NO2S and molecular weight 366.26 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-[(2,4-Dichlorophenyl)methyl]-2-phenylthiomorpholine-3,5-dione (C17H13Cl2NO2S) is characterized by a steroid 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 its high hydrophobicity (logP), 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.
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 | C17H13Cl2NO2S |
| Molecular Weight | 366.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3,4-Dichloro-N-(6-methyl-4-oxothiochroman-3-yl)benzamide (CAS 383146-49-4)
- 4-Allyl-3-((3,4-dichlorobenzyl)thio)-5-(furan-2-yl)-4H-1,2,4-triazole (CAS 618880-01-6)
- (5-chloro-2-thien-2-yl-1H-indol-1-yl)acetic acid (CAS 931677-46-2)
- 20-((2,5-Dioxopyrrolidin-1-yl)oxy)-20-oxoicosanoic acid (CAS 146004-85-5)
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- 3-Methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid (CAS 1566992-83-3)
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