Ethyl 5-(4-chlorophenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS 300377-47-3
| CAS No. | 300377-47-3 |
| Molecular Formula | C23H18ClN3O5S |
| Molecular Weight | 483.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 5-(4-chlorophenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is closely related to a flavonoid 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.
CATO supplies Ethyl 5-(4-chlorophenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 300377-47-3), a certified reference material (molecular formula C23H18ClN3O5S, MW 483.92 g/mol) for analytical method development and quality control.
Structurally, Ethyl 5-(4-chlorophenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (C23H18ClN3O5S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 483.92 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C23H18ClN3O5S |
| Molecular Weight | 483.92 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- (2Z)-3-[4-(4-Chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile (CAS 383147-93-1)
- (E)-[(5-{[(2-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylidene]amino 4-methoxybenzoate (CAS 321553-41-7)
- 3-((4-Chlorophenyl)sulfonyl)-N-(4-isopropylphenyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine (CAS 892738-90-8)
- 2-((6-(4-Chlorophenyl)-3-cyano-4-(p-tolyl)pyridin-2-yl)thio)-N-(m-tolyl)acetamide (CAS 444156-76-7)
- N-[(4-Chlorophenyl)methyl]-2-{[3-ethyl-7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide (CAS 1040632-03-8)
- (5-((4-Chlorophenyl)thio)-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl (3-chlorophenyl)carbamate (CAS 318248-31-6)
- N-(2-chlorophenyl)-2-((5-(((4-chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332930-62-8)
- 1,6-Bis(2-chlorophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-diol (CAS 96158-84-8)
Recommended Standards
- (E)-6-chloro-4-(methylsulfonyl)-N'-(3,4,5-trimethoxybenzylidene)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carbohydrazide (CAS 866134-93-2)
- Clopidogrel Acyl-beta-D-Glucuronide (CAS 1314116-53-4)
- 3-(4-Chloro-3-methylphenoxy)-8-((dipropylamino)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one (CAS 685861-44-3)
- Clopidogrel Impurity 987 (CAS CATO-C4X-1029987)
- 2-Chloro-4-(chloromethyl)benzo[d]oxazole (CAS 1804411-81-1)
- trans-cyclobutane-1,3-diol (CAS 1332482-75-3)
- 2-(Piperidin-1-yl)-5-(pyrrolidine-1-sulfonyl)pyridine (CAS 627842-46-0)
- Ethyl 4-(2-ethoxy-2-oxoacetyl)benzoate (CAS 102697-43-8)
- 3-Bromo-7-methoxy-1-methyl-1H-indazole (CAS 1781784-34-6)
- Tert-butyl 6-(3-ethoxy-3-oxopropanoyl)-3-azabicyclo[3.1.0]Hexane-3-carboxylate (CAS 2386464-32-8)
- 4-Amino-3,5-dibromo-α-(bromomethyl)benzenemethanol (CAS 945769-51-7)
- N-((Dimethoxy(methyl)silyl)methyl)aniline (CAS 17890-10-7)
- (3-Aminopropyl)(ethoxy)phosphinic acid hydrochloride (CAS 1394042-47-7)
- [3-31]-Semaglutide D (Sodium salt) (CAS CATO-C4X-2226119)
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