4-(3,3-Dimethylbutan-2-yl) 2-(perfluorophenyl) 3-methyl-1H-pyrrole-2,4-dicarboxylate CAS 54280-71-6
| CAS No. | 54280-71-6 |
| Molecular Formula | C19H18F5NO4 |
| Molecular Weight | 419.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 4-(3,3-Dimethylbutan-2-yl) 2-(perfluorophenyl) 3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 54280-71-6), a certified reference material (molecular formula C19H18F5NO4, MW 419.34 g/mol) for analytical method development and quality control.
Structurally, 4-(3,3-Dimethylbutan-2-yl) 2-(perfluorophenyl) 3-methyl-1H-pyrrole-2,4-dicarboxylate (C19H18F5NO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 419.34 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), 4-(3,3-Dimethylbutan-2-yl) 2-(perfluorophenyl) 3-methyl-1H-pyrrole-2,4-dicarboxylate 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 | C19H18F5NO4 |
| Molecular Weight | 419.34 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, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Dimethylbutan Standards
- 2-(((2,3-Dimethylbutan-2-yl)dimethylsilyl)oxy)ethyl trifluoromethanesulfonate (CAS 1392400-30-4)
- (2,3-Dimethylbutan-2-yl)dimethylsilyl trifluoromethanesulfonate (CAS 103588-79-0)
- 5-(2-(2,3-Dimethylbutan-2-yl)pyrimidin-4-yl)-4-methylthiazol-2-amine (CAS 1217487-29-0)
- (S)-1-(4-((3,3-Dimethylbutan-2-ylidene)amino)-5-((R)-1-hydroxyethyl)-4H-1,2,4-triazol-3-yl)ethan-1-ol (CAS 461383-09-5)
- 1-(3,3-Dimethylbutan-2-yl)-2-cyano-3-(pyridin-4-yl)guanidine (CAS 60560-33-0)
- n-(3,3-Dimethylbutan-2-yl)-1h-indole-4-carboxamide (CAS 1376366-21-0)
- 4-(((3,3-Dimethylbutan-2-yl)amino)methyl)benzoic acid (CAS 1569537-18-3)
- 4-[(E)-2-(3,3-dimethylbutan-2-ylidene)hydrazin-1-yl]benzoic acid 466643-84-5 F8881-2418 (CAS 466643-84-5)
Recommended Standards
- [4-(4-Bromo-phenyl)-thiazol-2-yl]-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine (CAS 364740-29-4)
- 4-Bromo-N-(2-(2,5-dimethyl-1H-pyrrol-1-yl)benzyl)benzenesulfonamide (CAS 383147-66-8)
- (2-((4-Bromobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(2-ethoxyphenyl)methanone (CAS 851800-47-0)
- Cetirizine Impurity 29 (CAS 62084-35-9)
- 3-Cyclopropyl-1-(2-methoxyethyl)-1H-pyrazol-5-amine (CAS 1823617-51-1)
- 5-BEnzyloxy-1-fluoro-2-methyl-3-nitro-benzene (CAS 1951441-93-2)
- 3,4-Dihydro-2H-1,4-benzoxazine-2-carbonitrile (CAS 86267-86-9)
- (E)-2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acrylic acid (CAS 1268246-89-4)
- Oxytocin Open Ring Impurity (CAS 17912-60-6(free base))
- 1-Allyl-2,2,5,5-tetramethylimidazolidine-4-thione hydrochloride (CAS 7145-39-3)
- 4-[4-(Trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile (CAS 1020252-27-0)
- Methyl 6-(indolin-1-yl)-4-methylnicotinate (CAS 1355194-33-0)
- 5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-3-yl}-3-(4-fluorophenyl)-2,1-benzoxazole (CAS 321571-05-5)
- D-Gln19-Tirzepatide (CAS CATO-CPTD788915)
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