1,3-Diethyl 2-{[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}propanedioate CAS 339111-79-4
| CAS No. | 339111-79-4 |
| Molecular Formula | C20H18ClF3N2O5 |
| Molecular Weight | 458.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1,3-Diethyl 2-{[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}propanedioate is closely related to a flavonoid 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.
1,3-Diethyl 2-{[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}propanedioate (CAS 339111-79-4) is a high-purity analytical reference standard with the molecular formula C20H18ClF3N2O5 and a molecular weight of 458.82 g/mol.
The molecular framework of 1,3-Diethyl 2-{[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}propanedioate (C20H18ClF3N2O5) is characterized by a flavonoid core, an amide 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 1,3-Diethyl 2-{[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}propanedioate 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 | C20H18ClF3N2O5 |
| Molecular Weight | 458.82 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Diethyl Standards
- 1,3-Diethyl 2-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}propanedioate (CAS 339099-88-6)
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Recommended Standards
- [(3Z)-2-Oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indol-3-ylidene]amino 4-chlorobenzoate (CAS 303996-93-2)
- (2R,3S,4R)-4-((Triisopropylsilyl)oxy)-2-(((triisopropylsilyl)oxy)methyl)-3,4-dihydro-2H-pyran-3-ol (CAS 201053-37-4)
- 3-(4-Chlorophenyl)-4-(2-oxopyridin-1(2H)-yl)-N-(4-(trifluoromethyl)phenyl)-1H-pyrazole-1-carboxamide (CAS 320424-65-5)
- (2R,3R,4R)-4-((Triisopropylsilyl)oxy)-2-(((triisopropylsilyl)oxy)methyl)-3,4-dihydro-2H-pyran-3-ol (CAS 343338-29-4)
- N-(4-((4-Chloropiperidin-1-yl)sulfonyl)phenyl)-5-nitrofuran-2-carboxamide (CAS 1523437-16-2)
- 2-((5-(3-Hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl)thio)-N-(naphthalen-2-yl)-N-phenylacetamide (CAS 332377-17-0)
- (2-Bromo-6-fluoro-3-nitrophenyl)methanol (CAS 1805506-57-3)
- Methyl 5-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (CAS 1206973-03-6)
- 2-[4-(trifluoromethyl)phenyl]ethane-1-sulfonyl chloride (CAS 721-64-2)
- n-(2-Methoxyethyl)-2-nitroaniline (CAS 56436-24-9)
- 2-[(E)-[(2E)-3-[4-(Dimethylamino)phenyl]prop-2-en-1-ylidene]amino]-4,5-diphenylfuran-3-carbonitrile (CAS 383148-39-8)
- 3-Methoxy Loratadine-d4 (CAS 1189501-87-8)
- (S)-2-Amino-2-(4-bromophenyl)ethan-1-ol hydrochloride (CAS 2095773-02-5)
- Eosinophilotactic Peptide (CAS 61756-28-3)
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