Methyl 2-(4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate CAS 29571-40-2
| CAS No. | 29571-40-2 |
| Molecular Formula | C7H8N2O3S |
| Molecular Weight | 200.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 2-(4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate (CAS 29571-40-2), molecular formula C7H8N2O3S and molecular weight 200.22 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 2-(4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate (C7H8N2O3S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C7H8N2O3S |
| Molecular Weight | 200.22 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1965 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- Methyl 2-((4-hydroxypyrimidin-2-yl)thio)acetate (CAS 79361-42-5)
- Methyl 2-(6-hydroxy-2-mercaptopyrimidin-4-yl)acetate (CAS 868238-05-5)
- Imino(methyl)(4-nitrophenyl)-λ6-sulfanone (CAS 22133-01-3)
- Methyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate (CAS 33081-13-9)
- 5-(tert-Butyl)-2-methoxybenzenesulfonyl Chloride (CAS 88041-83-2)
- 5-(4-Chlorophenyl)-2-(2,3-dimethylphenoxy)pyrimidine (CAS 477890-44-1)
- 2,4-Bis(4-Fluorophenyl)-3,5-Diphenyl-2,4-Cyclopentadien-1-One (CAS 22818-67-3)
- 3,4-Diphenylcinnoline (CAS 47193-42-0)
- 5-Oxopyrazolidine-3-carbonyl chloride (CAS 64186-71-6)
- (S)-2-(5-bromo-1H-indol-3-yl)propan-1-ol (CAS 1932499-19-8)
- 2,3,4-Tri-o-benzoyl-beta-L-rhamnopyranose (CAS 7494-44-2)
- Clofarabine Impurity 16 (CAS CATO-C4X-159316)
- 3,4-Dimethoxybenzenesulfonyl Chloride (CAS 23095-31-0)
- Semaglutide Impurity 138 (CAS CATO-C4X-2226138)
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