(5E)-3,3-Bis[(4-chlorophenyl)methyl]-6-(dimethylamino)hex-5-ene-2,4-dione CAS 478246-11-6
| CAS No. | 478246-11-6 |
| Molecular Formula | C22H23Cl2NO2 |
| Molecular Weight | 404.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 404.33 g/mol gives (5E)-3,3-Bis[(4-chlorophenyl)methyl]-6-(dimethylamino)hex-5-ene-2,4-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (5E)-3,3-Bis[(4-chlorophenyl)methyl]-6-(dimethylamino)hex-5-ene-2,4-dione (CAS 478246-11-6), a certified reference material (molecular formula C22H23Cl2NO2, MW 404.33 g/mol) for analytical method development and quality control.
Based on its molecular formula C22H23Cl2NO2, (5E)-3,3-Bis[(4-chlorophenyl)methyl]-6-(dimethylamino)hex-5-ene-2,4-dione contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 404.33 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 (5E)-3,3-Bis[(4-chlorophenyl)methyl]-6-(dimethylamino)hex-5-ene-2,4-dione 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 | C22H23Cl2NO2 |
| Molecular Weight | 404.33 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 2,2-Bis((2-cyanoacetoxy)methyl)propane-1,3-diyl bis(2-cyanoacetate) (CAS 178671-69-7)
- 2-({[3,5-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-5-phenyl-1,3,4-oxadiazole (CAS 477846-66-5)
- 1-((5-Bromo-4-(piperazin-1-yl)pyridin-3-yl)sulfonyl)-4-methylpiperazine (CAS 1352532-41-2)
- 2-(4-Cinnamylpiperazin-1-yl)-N-(2,3-dichlorophenyl)acetamide (CAS 307952-96-1)
- methyl 2-[(5-bromo-2-nitrophenyl)(methyl)amino]acetate (CAS 1496175-92-8)
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- 1-(4-Fluoropyridin-2-yl)cyclopropan-1-amine hydrochloride (CAS 2149589-59-1)
- 1-[(2,4-Difluorophenyl)methyl]-2-methylpiperazine (CAS 1240566-64-6)
- 4-Bromo-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 1823355-45-8)
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Why CATO?
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