rel-((3S,4S)-1-Benzyl-4-(trifluoromethyl)pyrrolidin-3-yl)methanol CAS 168544-84-1
| CAS No. | 168544-84-1 |
| Molecular Formula | C13H16F3NO |
| Molecular Weight | 259.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
rel-((3S,4S)-1-Benzyl-4-(trifluoromethyl)pyrrolidin-3-yl)methanol (C13H16F3NO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
rel-((3S,4S)-1-Benzyl-4-(trifluoromethyl)pyrrolidin-3-yl)methanol (CAS 168544-84-1) is a high-purity analytical reference standard with the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol.
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 | C13H16F3NO |
| Molecular Weight | 259.27 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2005 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 2-Methyl-3-(trifluoromethyl)pivalanilide (CAS 150783-50-9)
- (1-Benzyl-4-(trifluoromethyl)pyrrolidin-3-yl)methanol (CAS 168544-96-5)
- 2,2-dimethyl-6-[3-(trifluoromethyl)phenyl]morpholine (CAS 1495447-97-6)
- (2R,3R)-1-benzyl-2-(trifluoromethyl)piperidin-3-ol (CAS 1782959-27-6)
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