(4Z)-4-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-[(2,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline-1,3-dione CAS 338396-47-7
| CAS No. | 338396-47-7 |
| Molecular Formula | C24H14Cl3F3N2O3 |
| Molecular Weight | 541.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (4Z)-4-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-[(2,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline-1,3-dione is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies (4Z)-4-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-[(2,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline-1,3-dione (CAS 338396-47-7), a certified reference material (molecular formula C24H14Cl3F3N2O3, MW 541.73 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (4Z)-4-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-[(2,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline-1,3-dione is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 541.73 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.
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 | C24H14Cl3F3N2O3 |
| Molecular Weight | 541.73 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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 | F/Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 2-Oxothiazolidine-4-carboxylic acid (CAS 19750-45-9)
- Methallyl mercaptan (CAS 5954-68-7)
- (S)-1-Benzoyl-2-(tert-butyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 143870-66-0)
- 1-Benzylcyclopropan-1-ol (CAS 119373-39-6)
- 5-Bromo-1-chloro-2-isopropoxy-3-isobutoxybenzene (CAS 1365272-46-3)
- 4-[(1E)-{[3-(trifluoromethyl)phenyl]imino}methyl]phenyl methanesulfonate (CAS 331460-67-4)
- 1-(1-Isopropyl-1H-pyrazol-3-yl)-N-((1-methyl-1H-pyrazol-4-yl)methyl)methanamine hydrochloride (CAS 1856040-04-4)
- Tert-butyl (1-(4-cyanobenzyl)piperidin-4-yl)carbamate (CAS 1223379-07-4)
- Methyl 1-oxo-2-(pyridin-2-ylmethyl)-1,2-dihydroisoquinoline-4-carboxylate (CAS 303995-32-6)
- Erythropoietin Mimetic Peptide Sequence 20 (CAS 203397-62-0)
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