4-(Benzo[d][1,3]dioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one CAS 673495-79-9
| CAS No. | 673495-79-9 |
| Molecular Formula | C21H25N3O4S |
| Molecular Weight | 415.51 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(Benzo[d][1,3]dioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(Benzo[d][1,3]dioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one (CAS 673495-79-9), molecular formula C21H25N3O4S and molecular weight 415.51 g/mol, is a CATO reference standard with documented purity and traceability.
4-(Benzo[d][1,3]dioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one (C21H25N3O4S) contains a flavonoid 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 4-(Benzo[d][1,3]dioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-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 | C21H25N3O4S |
| Molecular Weight | 415.51 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Benzo Standards
- N-(benzo[d][1,3]dioxol-5-yl)-N-(4-isopropylbenzyl)thiophene-2-sulfonamide (CAS 1024523-12-3)
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- 4-((Benzo[d][1,3]dioxol-5-ylmethylene)amino)phenyl 4-chlorobenzenesulfonate (CAS 329778-29-2)
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Recommended Standards
- 2-Bromo-3-octadecylthiophene (CAS 827343-18-0)
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- 2-[3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CAS 865657-95-0)
- N-((2-(2,3-Dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-2-phenylacetamide (CAS 590396-58-0)
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- 2-Fluoro-4-(trifluoromethoxy)benzenesulfonyl chloride (CAS 954388-19-3)
- N-(Azido-PEG2)-N-Boc-PEG3-Boc (CAS 2093153-07-0)
- 1,5-naphthyridine-4-carboxylic acid (CAS 79426-14-5)
- 2-(Benzo[d]thiazol-6-ylamino)-2-oxoacetic acid (CAS 99066-78-1)
- (3,4-Dihydro-2h-benzo[b][1,4]oxazin-6-yl)methanamine dihydrochloride (CAS 1896402-90-6)
- Ac, Gastrin Releasing Peptide (20-27), porcine (CAS 77714-20-6)
Why CATO?
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