5-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate CAS 34933-06-7
| CAS No. | 34933-06-7 |
| Molecular Formula | C22H26N2O4S |
| Molecular Weight | 414.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate 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.
CATO supplies 5-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate (CAS 34933-06-7), a certified reference material (molecular formula C22H26N2O4S, MW 414.52 g/mol) for analytical method development and quality control.
5-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate (C22H26N2O4S) 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.
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 | C22H26N2O4S |
| Molecular Weight | 414.52 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.) | 1966 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Dimethylamino Standards
- 5-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl Acetate (CAS 56209-45-1)
- 1-(2-(Dimethylamino)ethyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1H-pyrrol-2(5H)-one (CAS 618074-83-2)
- (1R)-6-(Dimethylamino)-6'-(Diphenylphosphino)-[1,1'-biphenyl]-2,2'-diol (CAS 1384895-78-6)
- (Z)-3-(((3-((Dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxamide (CAS 334949-59-6)
- 1,4-Bis((2-(dimethylamino)ethyl)amino)-5,8-dihydroxyanthracene-9,10-dione (CAS 70476-63-0)
- N-(4-(Dimethylamino)phenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 573933-61-6)
- 2-({[4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]amino}methylidene)-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (CAS 649578-93-8)
- N-(1-(5-(Dimethylamino)furan-2-yl)-3-(octylamino)-3-oxoprop-1-en-2-yl)benzamide (CAS 209596-62-3)
Recommended Standards
- 3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole (CAS 2634687-68-4)
- 3-(5-(Cinnamylthio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 477735-13-0)
- Isopropyl 2-(cyclobutanecarboxamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate (CAS 495375-62-7)
- 2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4h-1,2,4-triazol-3-yl}sulfanyl)acetic acid (CAS 722490-57-5)
- (9H-fluoren-9-yl)methyl ((2S,3S)-3-(tert-butoxy)-1-hydroxybutan-2-yl)carbamate (CAS 1189357-56-9)
- 1,3:4,6-Di-O-benzylidene-2,5-dideoxy-2,5-imino-L-iditol (Mixture of Diastereomers) (CAS 1246812-42-9)
- 2-(1-benzhydrylazetidin-3-yl)ethanamine (CAS 162698-43-3)
- n-Cyclopropyl-n-(3-ethylthiophene-2-carbonyl)glycine (CAS 1270941-35-9)
- 25014-31-7 Poly(alpha-methyl styrene) (High M.Wt.) MFCD00152638 Poly-.alpha.-methylstyrene (CAS 25014-31-7)
- 4-(3-Methylpyrazin-2-yl)benzaldehyde (CAS 198084-10-5)
- 3-(Anthracen-9-yl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole (CAS 112176-06-4)
- 1,8-Naphthyridine-4-carbonitrile (CAS 1142927-41-0)
- 3-Morpholino-1-(naphthalen-1-yl)propan-1-one (CAS 10320-54-4)
- Antistasin-Related Peptide (CAS 161561-46-2)
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