2-((3-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 477330-56-6
| CAS No. | 477330-56-6 |
| Molecular Formula | C24H21FN2O2S2 |
| Molecular Weight | 452.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((3-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C24H21FN2O2S2) contains a steroid 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, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2-((3-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477330-56-6), molecular formula C24H21FN2O2S2 and molecular weight 452.56 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.
CATO manufactures 2-((3-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C24H21FN2O2S2 |
| Molecular Weight | 452.56 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Fluorobenzyl Standards
- 2-((2-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477331-62-7)
- 2-((4-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477332-85-7)
- 4-(5-((4-Fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole (CAS 955976-78-0)
- 3-(2-((4-Fluorobenzyl)oxy)phenyl)-1-(mesitylsulfonyl)-1H-pyrazole (CAS 956501-72-7)
- 5-(4-Fluorobenzyl)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-amine (CAS 1077629-23-2)
- (E)-2-(4-((4-fluorobenzyl)oxy)-3-methoxyphenyl)-N-(3-methoxybenzyl)ethene-1-sulfonamide (CAS 339104-63-1)
- 2-((2-Fluorobenzyl)thio)-6,7-dimethoxy-3-octylquinazolin-4(3H)-imine (CAS 860786-54-5)
- 4-Ethyl-3-((4-fluorobenzyl)thio)-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (CAS 956741-90-5)
Recommended Standards
- (4AR,6S,7R,8R,8aR)-6-(ethylthio)-8-(naphthalen-2-ylmethoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-ol (CAS 352008-09-4)
- Apremilast Impurity 82 (CAS CATO-C4X-100982)
- (2R,3S,4S,5R,6S)-4,5-Bis(benzyloxy)-2-(hydroxymethyl)-6-(phenylthio)tetrahydro-2H-pyran-3-ol (CAS 231623-55-5)
- Avacopan Impurity 5 (CAS 1346623-09-3)
- P-Terphenyl (CAS 92-94-4)
- 1-[4-(5-bromothiophen-2-yl)phenyl]ethan-1-one (CAS 929972-12-3)
- methyl 5-(difluoromethyl)thiophene-2-carboxylate (CAS 189331-34-8)
- 2-((3-Methoxyphenyl)ethynyl)-6-methylpyridine hydrochloride (CAS 823198-78-3)
- Isavuconazole Impurity 45 (CAS 219872-85-2)
- 8-Bromo-7-chloro-6-iodo-2H-benzo[d][1,3]oxazine-2,4(1H)-dione (CAS 2667057-69-2)
- 5,6,7,8-Tetrahydro-1-naphthalenol (CAS 529-35-1)
- (s)-2-(1-Amino-2-hydroxyethyl)-4-methylphenol (CAS 1213435-39-2)
- 4-Bromo-5-fluoro-2-iodobenzaldehyde (CAS 1379347-43-9)
- Neuropeptide K, porcine (CAS 106441-70-7)
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