2-((2-(3,4-Dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 477331-58-1
| CAS No. | 477331-58-1 |
| Molecular Formula | C27H26N2O5S2 |
| Molecular Weight | 522.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((2-(3,4-Dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477331-58-1), molecular formula C27H26N2O5S2 and molecular weight 522.64 g/mol, is a CATO reference standard with documented purity and traceability.
2-((2-(3,4-Dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C27H26N2O5S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, 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).
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), 2-((2-(3,4-Dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one 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 | C27H26N2O5S2 |
| Molecular Weight | 522.64 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 |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Dimethoxyphenyl Standards
- 2-((2-(2,5-Dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477331-64-9)
- 4-(3,4-Dimethoxyphenyl)-2-(((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)thio)-6-(p-tolyl)nicotinonitrile (CAS 337497-81-1)
- Butyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 332928-79-7)
- 3-(3,4-Dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-(3-phenoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 297157-92-7)
- 1-Benzyl-3-[(2,4-dimethoxyphenyl)methyl]-3-(4-iodophenyl)thiourea (CAS 306730-51-8)
- 5-((3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one (CAS 623935-79-5)
- 6-(1-Acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-(3,4-dimethoxyphenyl)-4H-chromen-4-one (CAS 154185-86-1)
- (2Z)-2-[(3,4-Dimethoxyphenyl)methylidene]-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-one (CAS 337921-81-0)
Recommended Standards
- (4,6-Dihydroxy-5-(3-(triethoxysilyl)propyl)-1,3-phenylene)bis(phenylmethanone) (CAS 166255-23-8)
- (2R,4R)-(+)-2-(Diphenylphosphinomethyl)-4-(dicyclohexylphosphino)-N-methyl-1-pyrrolidinecarboxamide (CAS 122709-72-2)
- Argatroban Impurity 82 (Mixture of Diastereomers) (CAS CATO-C4X-100782)
- (S,S)-MCCPM (CAS 112521-97-8)
- N-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide (CAS 1980087-10-2)
- (6-Butoxy-5-methylpyridin-3-yl)boronic acid (CAS 1256355-20-0)
- 2-Azabicyclo[2.1.1]Hexan-4-amine (CAS 793652-39-8)
- n,4-Diisopropylaniline (CAS 738613-43-9)
- 4-(Boc-aminomethyl)piperidine (CAS 135632-53-0)
- Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonic acid (CAS 194999-85-4)
- (E)-3-butoxy-1-(4-(methylthio)phenyl)prop-2-en-1-one (CAS 1375008-08-4)
- Cyclopropyl(2-(trifluoromethyl)phenyl)methanamine (CAS 535926-58-0)
- 1-Benzyl-4-(4-fluoro-2-nitrophenyl)piperazine (CAS 923827-19-4)
- Human IgE Pentapeptide HEPP (CAS 62087-72-3)
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