Ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate CAS 318237-89-7
| CAS No. | 318237-89-7 |
| Molecular Formula | C23H16F6N4O5 |
| Molecular Weight | 542.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 542.39 g/mol gives Ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 318237-89-7), a certified reference material (molecular formula C23H16F6N4O5, MW 542.39 g/mol) for analytical method development and quality control.
The molecular framework of Ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate (C23H16F6N4O5) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine 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.
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 | C23H16F6N4O5 |
| Molecular Weight | 542.39 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Ethyl Standards
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- N-[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-4-yl]-9-iodo-nonanamide (CAS 2703834-55-1)
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Recommended Standards
- Empagliflozin Impurity N37 (CAS 2452301-33-4)
- N,N-Bis(4-methoxybenzyl)-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridin-2-amine (CAS 2763159-76-6)
- Empagliflozin Impurity 54 (CAS CATO-C4X-106554)
- N6-(Trifluoroacetamidohexyl)adenosine 5-Phosphate (CAS 66060-76-2)
- 5-Chloro-N'-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-1,3-dimethyl-1H-pyrazole-4-sulfonohydrazide (CAS 318247-32-4)
- (S)-3-Amino-2-pyrrolidinone Hydrochloride (CAS 56440-28-9)
- 2,2',3,4',5,5',6-Heptachloro-[1,1'-biphenyl]-4-ol (CAS 158076-68-7)
- 1-Bromo-3,5-difluoro-2-(fluoromethyl)benzene (CAS 2244083-87-0)
- Dapagliflozin Impurity 100 (CAS CATO-C4X-1138100)
- 3-((6-Bromo-1H-benzo[d]imidazol-2-yl)amino)-N-butylbenzamide (CAS 917763-95-2)
- n-(2-Methoxy-5-nitrophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-yl)thio)acetamide (CAS 379710-27-7)
- 5-chloro-2-methylpyrido[3,4-b]pyrazine (CAS 556053-82-8)
- 6-Amino-5-cyano-3-(difluoromethyl)picolinic acid (CAS 1806837-30-8)
- Semaglutide Impurity 187 (CAS CATO-C4X-2226187)
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