Methyl 3-(2-(2-((4-chlorophenyl)amino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate CAS 477872-75-6
| CAS No. | 477872-75-6 |
| Molecular Formula | C22H15ClN2O4S |
| Molecular Weight | 438.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-(2-(2-((4-chlorophenyl)amino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 3-(2-(2-((4-chlorophenyl)amino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate (CAS 477872-75-6) is a high-purity analytical reference standard with the molecular formula C22H15ClN2O4S and a molecular weight of 438.88 g/mol.
The molecular framework of Methyl 3-(2-(2-((4-chlorophenyl)amino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate (C22H15ClN2O4S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C22H15ClN2O4S |
| Molecular Weight | 438.88 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Methyl Standards
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Recommended Standards
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- 2'-chloro-6'-fluoro-5-hydroxy-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)-6-(1H-1,2,4-triazol-1-yl)-1,6-dihydro-[1,1'-biphenyl]-3(2H)-one (CAS 1005119-26-5)
- 5-((2,4,6-Tribromophenoxy)methyl)furan-2-carbaldehyde (CAS 438221-12-6)
- (S)-tert-Butyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate (CAS 74360-79-5)
- (3AS,8aR)-2-(6-methylpyridin-2-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole (CAS 1532531-18-2)
- Ethyl 5-(chloromethyl)nicotinate (CAS 1391986-90-5)
- Veratraldehyde-2-<SUP>13</SUP>C (CAS 1173022-44-0)
- 2,3-Diamino-N-(4-chlorophenyl)benzamide (CAS 1421933-38-1)
- 4,6-Dimethylisoxazolo[5,4-b]pyridin-3(2H)-one (CAS 56366-97-3)
- 2-Chloro-5-(trifluoromethyl)pyridine (CAS 52334-81-3)
- Naphthalen-2-yl acrylate (CAS 52684-34-1)
- 1-cyclohexanecarbonylazetidine-3-carboxylic acid (CAS 1342089-18-2)
- D-[γ-Glu](Side Chain)-Semaglutide (CAS CATO-C4X-2226254)
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