1-[2-(benzyloxy)-5-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one CAS 298186-49-9
| CAS No. | 298186-49-9 |
| Molecular Formula | C23H16F4O2 |
| Molecular Weight | 400.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-[2-(benzyloxy)-5-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is closely related to a steroid core, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-[2-(benzyloxy)-5-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one (CAS 298186-49-9), molecular formula C23H16F4O2 and molecular weight 400.37 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-[2-(benzyloxy)-5-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one (C23H16F4O2) contains a steroid core, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 400.37 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures 1-[2-(benzyloxy)-5-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C23H16F4O2 |
| Molecular Weight | 400.37 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 |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
Related benzyloxy Standards
- 1-[2-(benzyloxy)-5-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one (CAS 298186-50-2)
- 2-[({[5-(benzyloxy)-2,4-dichlorophenyl]carbamoyl}methyl)sulfanyl]acetic acid (CAS 339014-97-0)
- (E)-1-(2-(Benzyloxy)-4,5-dimethylphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)prop-2-en-1-one (CAS 96755-18-9)
- 4-((3-(Benzyloxy)benzylidene)amino)-3-(m-tolyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478255-62-8)
- 2-(Benzyloxy)-3,5-dibromo-4-methoxybenzaldehyde (CAS 35031-47-1)
- 4-(Benzyloxy)-2,3-dibromo-5-methoxybenzaldehyde (CAS 834907-51-6)
- 6,7-Bis(benzyloxy)-4-chloroquinoline-3-carbonitrile (CAS 1822792-24-4)
- Methyl 3-(benzyloxy)-4,6-dibromopicolinate (CAS 321596-56-9)
Recommended Standards
- dimethyl 2-((4R,5S)-5-(2-(benzyloxy)acetyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxoethylphosphonate (CAS 89291-74-7)
- 3-Amino-1-(2,6-dichloro-4-methoxyphenyl)-1H-pyrazol-5(4H)-one (CAS 33008-65-0)
- 3-Iodo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine (CAS 913983-25-2)
- N-(6-Amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-hydroxy-5-methoxybenzamide (CAS 176379-32-1)
- 6-Amino-1H-pyrazolo[3,4-d]pyrimidine (CAS 287177-82-6)
- Methyl3-Cyclopentylpropanoate (CAS 4300-02-1)
- 2-Amino-N-(((S)-1-benzylpyrrolidin-2-yl)methyl)-3-methylbutanamide (CAS 1354025-11-8)
- Methyl 3-(4-chlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate (CAS 97458-95-2)
- Tert-butyl 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)piperidine-1-carboxylate (CAS 1154102-47-2)
- 4-Amino-9H-fluoren-1-ol (CAS 748186-92-7)
- N-(phenyl(p-tolyl)methyl)octan-1-amine (CAS 160254-21-7)
- Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate (CAS 1762-36-3)
- 4-Acetylbenzenesulfonamide (CAS 1565-17-9)
- Neuropeptide Y (2-36) (human, rat) trifluoroacetate salt (CAS 123139-39-9)
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