Methyl 3-((7-(3-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)-4-methoxybenzoate CAS 1105238-47-8
| CAS No. | 1105238-47-8 |
| Molecular Formula | C22H17ClN2O4S |
| Molecular Weight | 440.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3-((7-(3-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)-4-methoxybenzoate (C22H17ClN2O4S) contains a flavonoid 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, 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.
Methyl 3-((7-(3-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)-4-methoxybenzoate (CAS 1105238-47-8), molecular formula C22H17ClN2O4S and molecular weight 440.90 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C22H17ClN2O4S |
| Molecular Weight | 440.90 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.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- Methyl 3-((7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)-4-methoxybenzoate (CAS 1105223-62-8)
- (4-(7-(4-Chlorophenyl)-4-hydroxythieno[3,2-d]pyrimidin-2-yl)piperazin-1-yl)(furan-2-yl)methanone (CAS 1226446-87-2)
- 5-(4-Chlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(thiazol-2-yl)-1,5-dihydro-2h-pyrrol-2-one (CAS 380584-15-6)
- 2-(2-(2-Chlorophenyl)-4-phenylthiazol-5-yl)-N-(2,4-difluorophenyl)acetamide (CAS 338957-30-5)
- 2-(2-(4-Chlorophenyl)-4-phenylthiazol-5-yl)-N-(2,4-difluorophenyl)acetamide (CAS 338957-20-3)
- 7-(4-Chlorophenyl)-2-(4-(2-fluorophenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4(1H)-one (CAS 1226430-85-8)
- 2-(4-(3-Chlorophenyl)piperazin-1-yl)-7-(3-fluorophenyl)thieno[3,2-d]pyrimidin-4(1H)-one (CAS 1243004-67-2)
- 2-(4-(2-Chlorophenyl)piperazin-1-yl)-7-(3-fluorophenyl)thieno[3,2-d]pyrimidin-4(1H)-one (CAS 1243061-78-0)
Recommended Standards
- 4-[2-[5-Chloro-1,2-dihydro-2-oxo-1-(phenylmethyl)-3H-indol-3-ylidene]hydrazinyl]benzenesulfonamide (CAS 2380245-48-5)
- Dorzagliatin Impurity 15 (CAS CATO-C4X-344115)
- m-Aminobenzaldehyde polymer (CAS 29159-23-7)
- Darolutamide Impurity 47 (CAS CATO-C4X-310647)
- 929339-21-9 (2Z)-6-Hydroxy-2-[(1-methyl-1H-indol-3-yl)methylene]-1-benzofuran-3(2H)-one MFCD08743253 (CAS 929339-21-9)
- 3-Methyl-1-(m-tolyl)butan-1-amine (CAS 1184551-14-1)
- 4-(Hydrazinylmethyl) Benzene-1,2-Diol (CAS 805179-71-9)
- 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoic acid (CAS 874623-62-8)
- 4-(4-Fluorophenyl)-5-hydroxymethyl-6-isopropyl-2-methylthiopyrimidine 4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methylthio)-5-pyrimidinemethanol 895129-11-0 (CAS 895129-11-0)
- (E)-2-chloro-4-(2-(2-fluorobenzylidene)hydrazinyl)quinazoline (CAS 339025-94-4)
- 233-34-1 AR-1J7671 n-(2-benzoyl-4-chlorophenyl)-2-bromo-n-(2,2,2-trifluoroethyl)acetamide (CAS 233-34-1)
- 4-{6-chloro-2-methyl-3H-imidazo[4,5-b]pyridin-3-yl}piperidine (CAS 1266768-94-8)
- Mono[2-(perfluorodecyl)ethyl] phosphate dicyclohexylamine (CAS 57678-05-4(Free acid))
- Tirzepatide Impurity 47 (CAS CATO-C4X-324047)
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