2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile CAS 303985-78-6
| CAS No. | 303985-78-6 |
| Molecular Formula | C21H18Cl2N4S |
| Molecular Weight | 429.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile (CAS 303985-78-6), molecular formula C21H18Cl2N4S and molecular weight 429.37 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile (C21H18Cl2N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 429.37 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C21H18Cl2N4S |
| Molecular Weight | 429.37 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related dichlorophenyl Standards
- 2-((2,6-Dichlorophenyl)thio)-N'-(diphenylmethylene)propanehydrazide (CAS 478247-07-3)
- 3-{3-[(2,4-dichlorophenyl)methoxy]phenyl}-1-(thiophene-2-carbonyl)-1H-pyrazole (CAS 477712-63-3)
- 3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}-1-(thiophene-2-carbonyl)-1H-pyrazole (CAS 477711-58-3)
- (3Z)-3-{[(2,4-dichlorophenyl)methoxy]imino}-N-(4-phenoxyphenyl)propanamide (CAS 477851-47-1)
- N-(5-(1-(2,6-Dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl)thiazol-2-yl)cyclopropanecarboxamide (CAS 1338247-30-5)
- 2,4-dichlorophenyl 4,5,6,7-tetrafluoro-2-methylbenzo[b]furan-3-sulphonate (CAS 256329-74-5)
- 2,4-Dichlorophenyl 2-(4-chlorophenyl)quinoline-4-carboxylate (CAS 355433-68-0)
- 3-(2,6-Dichlorophenyl)-5-methyl-N-(4-phenylthiazol-2-yl)isoxazole-4-carboxamide (CAS 438613-18-4)
Recommended Standards
- 2-(Chloromethyl)-6-(difluoromethyl)-3,4-diiodopyridine (CAS 1806826-75-4)
- 2-(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)-2-methyl-4H-benzo[d][1,3]dioxin-4-one (CAS 63244-53-1)
- 2-(Chloromethyl)-3-(difluoromethyl)-4,5-diiodopyridine (CAS 1806822-33-2)
- 2,2'-(Ethane-1,2-diylbis(sulfanediyl))bis(N-(3-chlorophenyl)acetamide) (CAS 222403-73-8)
- 2-Hydroxy-N-methoxy-N-methylacetamide (CAS 78937-02-7)
- methyl[(oxan-3-yl)methyl]amine hydrochloride (CAS 2007925-00-8)
- 3-(4-aminophenoxy)propanoic acid (CAS 350699-65-9)
- 2-(2,4-Difluoro-6-(methoxymethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2641028-73-9)
- N-Boc-2-methyl-1,4-piperidinedicarboxylic Acid Methyl Ester (CAS 1415740-83-8)
- Tert-butyl 2-isopropyl-4,6-dioxopiperidine-1-carboxylate (CAS 1008510-48-2)
- 2-Amino-6-(difluoromethyl)-5-methylnicotinaldehyde (CAS 1806900-56-0)
- Tert-butyl 4-(1-ethyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate (CAS 1338495-02-5)
- (1S,3S)-3-aminocyclopentanol (CAS 946593-67-5)
- D-Gln19-Tirzepatide (CAS CATO-CPTD788915)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com