4-{[(2-chlorophenyl)methanesulfonyl]methyl}-1-[3-(trifluoromethyl)benzoyl]piperidin-4-ol CAS 866019-53-6
| CAS No. | 866019-53-6 |
| Molecular Formula | C21H21ClF3NO4S |
| Molecular Weight | 475.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-{[(2-chlorophenyl)methanesulfonyl]methyl}-1-[3-(trifluoromethyl)benzoyl]piperidin-4-ol (CAS 866019-53-6), molecular formula C21H21ClF3NO4S and molecular weight 475.91 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-{[(2-chlorophenyl)methanesulfonyl]methyl}-1-[3-(trifluoromethyl)benzoyl]piperidin-4-ol (C21H21ClF3NO4S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C21H21ClF3NO4S |
| Molecular Weight | 475.91 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related chlorophenyl Standards
- 2-(2-(((4-Chlorophenyl)thio)methyl)-1H-benzo[d]imidazol-1-yl)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 339100-98-0)
- 2-(2-{[(2-chlorophenyl)sulfanyl]methyl}-1H-1,3-benzodiazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 339101-13-2)
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Recommended Standards
- 3-((4-Chlorobenzyl)thio)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 383145-75-3)
- 3-Chloro-2-({7-[(Z)-2-[4-(propan-2-yl)phenyl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-5-(trifluoromethyl)pyridine (CAS 303986-70-1)
- Metoclopramide N4-β-D-glucuronide, 98% (CAS 27313-54-8)
- N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 618427-57-9)
- Methyl 6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate (CAS 1211464-12-8)
- 2-[(2-Bromoacetyl)amino]-N-ethyl-N-phenylbenzamide (CAS 1138442-64-4)
- 3-(4-Amino-3,5-dimethyl-1h-pyrazol-1-yl)-2,2-dimethylpropanoic acid (CAS 1509710-66-0)
- tert-Butyl (R)-2-(hydroxymethyl)aziridine-1-carboxylate (CAS 1286768-91-9)
- 5-Chloro-2-(morpholin-4-yl)pyrimidine-4-carboxylic acid (CAS 327064-07-3)
- Tert-butyl 4-(2-((3-bromo-4-fluorophenyl)imino)-2-(hydroxyamino)acetyl)piperidine-1-carboxylate (CAS 2084138-48-5)
- 5-Hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid (CAS 75161-15-8)
- 4-(3-(4-Bromo-2-chlorophenoxy)propyl)morpholine (CAS 433946-01-1)
- 4-Bromo-3-methoxy-1,1'-biphenyl (CAS 1443378-09-3)
- Semaglutide Impurity 162 (x TFA Salt) (CAS CATO-C4X-2226162)
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