(3S,5R,6R)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)tetrahydro-3-methyl-3-(2-propen-1-yl)-2H-pyran-2-one CAS 1352076-45-9
| CAS No. | 1352076-45-9 |
| Molecular Formula | C21H20Cl2O2 |
| Molecular Weight | 375.29 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.
CATO supplies (3S,5R,6R)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)tetrahydro-3-methyl-3-(2-propen-1-yl)-2H-pyran-2-one (CAS 1352076-45-9), a certified reference material (molecular formula C21H20Cl2O2, MW 375.29 g/mol) for analytical method development and quality control.
Owing to a steroid core, a hydroxyl group, an ether linkage, chlorine substitution, (3S,5R,6R)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)tetrahydro-3-methyl-3-(2-propen-1-yl)-2H-pyran-2-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 375.29 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), (3S,5R,6R)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)tetrahydro-3-methyl-3-(2-propen-1-yl)-2H-pyran-2-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 | C21H20Cl2O2 |
| Molecular Weight | 375.29 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl-containing |
Recommended Standards
- tert-Butyl (E)-4-bromo-3-(4-ethoxy-4-oxobut-2-en-1-yl)thiophene-2-carboxylate (CAS 2740756-79-8)
- tert-butyl 2-((((2,4-dichloropyrimidin-5-yl)methyl)(methyl)amino)methyl)pyrrolidine-1-carboxylate (CAS 1420810-78-1)
- N-(6-Bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide (CAS 476307-47-8)
- tert-butyl 4-((((2,4-dichloropyrimidin-5-yl)methyl)amino)methyl)piperidine-1-carboxylate (CAS 1420844-42-3)
- 5-Bromo-2-(2-methylphenyl)pyridine (CAS 88345-94-2)
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