ethyl 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate CAS 596794-87-5
| CAS No. | 596794-87-5 |
| Molecular Formula | C9H15ClN2O2S |
| Molecular Weight | 250.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
ethyl 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate (C9H15ClN2O2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
ethyl 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate (CAS 596794-87-5) is a high-purity analytical reference standard with the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol.
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 | C9H15ClN2O2S |
| Molecular Weight | 250.75 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related ethyl Standards
- ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate (CAS 1135299-23-8)
- ethyl 4-chlorothieno[2,3-d]pyrimidine-2-carboxylate (CAS 1192540-11-6)
- ethyl 4-chlorothieno[2,3-d]pyrimidine-5-carboxylate (CAS 1216013-63-6)
- ethyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate (CAS 319442-18-7)
- ethyl 6-chlorothieno[2,3-b]pyridine-2-carboxylate (CAS 2092765-41-6)
- 4-Chlorothieno[2,3-d]pyrimidine-6-sulfonamide (CAS 1342732-53-9)
- 4-Chlorothieno[3,2-d]pyrimidine-6-sulfonamide (CAS 1343729-43-0)
- 3-(4-Chlorothieno[2,3-d]pyrimidin-2-yl)pyridine (CAS 1188085-59-7)
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