Methyl 3-{[7-(3-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-4-methoxybenzoate CAS 1105232-77-6
| CAS No. | 1105232-77-6 |
| Molecular Formula | C22H17FN2O4S |
| Molecular Weight | 424.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 424.44 g/mol gives Methyl 3-{[7-(3-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-4-methoxybenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 3-{[7-(3-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-4-methoxybenzoate (CAS 1105232-77-6), molecular formula C22H17FN2O4S and molecular weight 424.44 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 3-{[7-(3-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-4-methoxybenzoate (C22H17FN2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine 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.
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.
As a certified reference material (CRM), Methyl 3-{[7-(3-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-4-methoxybenzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H17FN2O4S |
| Molecular Weight | 424.44 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 | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 5-(2-Fluorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one (CAS 380876-63-1)
- 7-(2-Fluorophenyl)-2-(4-(2-fluorophenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 1242857-96-0)
- 7-(4-Fluorophenyl)-2-(4-(2-fluorophenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4-ol (CAS 1242897-11-5)
- 7-(3-Fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-3H,4H-thieno[3,2-d]pyrimidin-4-one (CAS 1243058-37-8)
- 4-[(4-Fluorophenyl)methyl]-3-{1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775379-05-9)
- 1-(2-Fluorophenyl)-4-((2,4,5-trichlorophenyl)sulfonyl)piperazine (CAS 669708-00-3)
- 1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one (CAS 1775552-76-5)
- 1-[Bis(4-fluorophenyl)methyl]-4-(4-nitrobenzyl)piperazine (CAS 914349-64-7)
Recommended Standards
- Orthosulfamuron (CAS 213464-77-8)
- Benzyl 7-hydroxy-2,2-diphenylbenzo[d][1,3]dioxole-5-carboxylate (CAS 1159977-38-4)
- Argatroban Impurity 71 (CAS CATO-C4X-100771)
- 2-(6-(tert-Butoxycarbonyl)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetic acid (CAS 1206821-44-4)
- 4,5-Dimethyl-N-(3-morpholinopropyl)benzo[d]thiazol-2-amine (CAS 1204296-28-5)
- 5-Bromo-2,4-dihydroxybenzoic acid hydrate (CAS 160348-98-1)
- 2-Methoxy-6-methylpyridine (CAS 63071-03-4)
- 3-(Pyridin-3-ylmethoxy)aniline (CAS 105326-54-3)
- 4'-Hydroxy-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione (CAS 1334146-87-0)
- 4-Amino-N-(furan-2-ylmethyl)benzene-1-sulfonamide (CAS 5626-92-6)
- Thieno[3,2-c]pyridin-2-ylboronic acid (CAS 568582-98-9)
- 5-Hydroxy-1H-indazole (CAS 15579-15-4)
- Methyl 8-bromoperfluoro(2,5-dimethyl-3,6-dioxaoctanoate) (CAS 2244088-12-6)
- Tirzepatide Impurity 16 (CAS CATO-C4X-324016)
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