Ethyl 5-cyano-6-{[(2,4-dichlorophenyl)methyl]sulfanyl}-2-phenylpyridine-3-carboxylate CAS 306980-11-0
| CAS No. | 306980-11-0 |
| Molecular Formula | C22H16Cl2N2O2S |
| Molecular Weight | 443.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 5-cyano-6-{[(2,4-dichlorophenyl)methyl]sulfanyl}-2-phenylpyridine-3-carboxylate (CAS 306980-11-0), molecular formula C22H16Cl2N2O2S and molecular weight 443.35 g/mol, is a CATO reference standard with documented purity and traceability.
Ethyl 5-cyano-6-{[(2,4-dichlorophenyl)methyl]sulfanyl}-2-phenylpyridine-3-carboxylate (C22H16Cl2N2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C22H16Cl2N2O2S |
| Molecular Weight | 443.35 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- 3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(3,4-dichlorophenyl)urea (CAS 866038-94-0)
- Ethyl 5-cyano-2-phenyl-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carboxylate (CAS 306980-09-6)
- 1-(3-Cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl)-3-(3-(trifluoromethyl)phenyl)urea (CAS 866017-62-1)
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- Ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-5-phenylthiophene-3-carboxylate (CAS 469872-53-5)
- N-(2-Cyano-3-methylbutan-2-yl)-2-((4-(2,4-difluorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 745068-65-9)
- 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 626227-18-7)
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Recommended Standards
- 6-(2,6-Dichlorophenyl)-8-methyl-2-((3-(methylthio)phenyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one (CAS 260415-63-2)
- 2-(Difluoromethyl)-4,5-diiodopyridine-3-carbonyl chloride (CAS 1803706-35-5)
- 2-(Benzylthio)-3-(2,4-dichloro-5-methoxyphenyl)quinazolin-4(3H)-one (CAS 338967-92-3)
- 4-(Difluoromethyl)-2,6-diiodonicotinoyl chloride (CAS 1804451-39-5)
- N-(5-Isobutylisoxazol-3-yl)morpholine-4-carboxamide (CAS 55808-69-0)
- (R)-2,2-dichlorocyclopropane-1-carboxylic acid (CAS 1050236-33-3)
- 5-Chloro-8-methylquinoline-2-carboximidamide hydrochloride (CAS 1179362-53-8)
- N-Methoxy-N,2,3-trimethylbenzamide (CAS 229970-95-0)
- 6-Amino-1-benzyl-5-(pyrrolidin-1-yl)pyrimidine-2,4(1H,3H)-dione (CAS 571158-93-5)
- 3-Propylaniline (CAS 2524-81-4)
- 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole (CAS 383147-81-7)
- 2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanone (CAS 26944-43-4)
- 5-(2,6-Dichloro-4-(trifluoromethyl)phenyl)furan-2-carbaldehyde (CAS 680215-60-5)
- Galanin Message Associated Peptide (44-59) amide (CAS 125455-59-6)
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