2-{1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol CAS 328110-31-2
| CAS No. | 328110-31-2 |
| Molecular Formula | C17H18F6N2O |
| Molecular Weight | 380.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2-{1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol (C17H18F6N2O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 2-{1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol (CAS 328110-31-2), a certified reference material (molecular formula C17H18F6N2O, MW 380.33 g/mol) for analytical method development and quality control.
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 | C17H18F6N2O |
| Molecular Weight | 380.33 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 10-[(E)-2-{[4-(trifluoromethyl)phenyl]amino}ethenyl]-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile (CAS 338966-88-4)
- 3-((3-Bromobenzyl)thio)-4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 618412-36-5)
- [5,6-difluoro-4-(trifluoromethylsulfonyloxy)-2-naphthyl] acetate (CAS 2621935-32-6)
- 3-((4-Bromobenzyl)thio)-4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 578751-45-8)
- N-(4-Ethoxybenzyl)-2-isopropoxyaniline (CAS 1040683-17-7)
- tert-Butyl (3-acetamidophenyl)carbamate (CAS 925563-94-6)
- Tert-butyl 4-(3,3-diethyl-2-oxoindolin-1-yl)piperidine-1-carboxylate (CAS 1358667-41-0)
- N-Benzyl-6-chloro-N-methyl-2-pyridinamine (CAS 1219972-10-7)
- 2-Amino-4-iodo-6-methoxypyrimidine (CAS 100594-13-6)
- 1-Bromo-1-ethoxycyclopropane (CAS 95631-62-2)
- Boc-(3S,4S)-4-amino-3-hydroxy-5-(3-indolyl)pentanoic acid, 97% (CAS 109579-23-9)
- (2S)-Dicyclohexylamine trans-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylate (CAS 21157-12-0)
- Diphenyl phenylphosphonate (CAS 3049-24-9)
- Peptide 434 (CAS CATO-CPTD788434)
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