rel-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)((3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl)methanone CAS 2007885-39-2
| CAS No. | 2007885-39-2 |
| Molecular Formula | C18H17F4N3O3 |
| Molecular Weight | 399.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of rel-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)((3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl)methanone is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
rel-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)((3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl)methanone (CAS 2007885-39-2) is a high-purity analytical reference standard with the molecular formula C18H17F4N3O3 and a molecular weight of 399.34 g/mol.
Based on its molecular formula C18H17F4N3O3, rel-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)((3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl)methanone contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 399.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C18H17F4N3O3 |
| Molecular Weight | 399.34 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related rel Standards
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Recommended Standards
- 7-(2,2,2-Trifluoroacetamido)-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl thiophene-2-carboxylate (CAS 866131-64-8)
- (17β)-17-[(2,2-Dichloroacetyl)oxy]androst-4-en-3-one (CAS 7768-48-1)
- 2-(2-{[3-Cyano-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamido)acetic acid (CAS 903086-53-3)
- 2,2'-(Ethane-1,2-diylbis(sulfanediyl))bis(1-(4-chlorophenyl)ethan-1-one) (CAS 331461-94-0)
- 1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline (CAS 338793-09-2)
- (1R,4r)-N1-(4-fluorobenzyl)cyclohexane-1,4-diamine hydrochloride (CAS 1366386-71-1)
- 4-((9-Acridinecarbonyl)amino)-2,2,6,6-tetramethylpiperidin-1-oxyl free radical (CAS 216393-51-0)
- THP-PEG9-OH (CAS 669556-83-6)
- 4-Ethyl-7-((3-oxobutan-2-yl)oxy)-2H-chromen-2-one (CAS 314742-28-4)
- N-(3-bromophenyl)-4-((2-chlorothiazol-5-yl)methoxy)benzenesulfonamide (CAS 339105-51-0)
- 4-chloro-6-nitro-1,8-naphthyridine-3-carbonitrile (CAS 305370-84-7)
- Sunitinib Impurity 28 (CAS CATO-C4X-133328)
- tert-butyl N-[5-bromo-4-(dimethoxymethyl)pyrimidin-2-yl]-N-tert-butoxycarbonyl-carbamate (CAS 2377372-58-0)
- Semaglutide impurity 86 (CAS CATO-C4X-152686)
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