Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate CAS 339115-25-2
| CAS No. | 339115-25-2 |
| Molecular Formula | C18H13FN2O2 |
| Molecular Weight | 308.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate 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.
Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate (CAS 339115-25-2) is a high-purity analytical reference standard with the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol.
Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate (C18H13FN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; 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.
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 Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate 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 | C18H13FN2O2 |
| Molecular Weight | 308.31 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 13.0 |
| 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
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- N-(2-Methoxyphenyl)-4-nitrobenzenesulfonamide (CAS 299968-56-2)
- 4-Fluoro-N-(mesitylcarbamoyl)benzamide (CAS 897838-91-4)
- (4-Chloro-3-(4-oxopiperidine-1-carbonyl)phenyl)boronic acid (CAS 1704080-21-6)
- 2-Pentanone (CAS 107-87-9)
- 4-Fluoro-2-methyl-1-phenylsulfonyl-1H-indole (CAS 1354699-91-4)
- 3-BROMO-4-METHYL-5-(PROP-1-YN-1-YL)PYRIDINE (CAS 1383985-19-0)
- 3,5-Dimethyl-5H-Furan-2-One (CAS 5584-69-0)
- 2-(4-Chlorophenyl)-6-[(2E)-3-[(3,4-dimethylphenyl)amino]prop-2-enoyl]-4-methyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione (CAS 477854-27-6)
- 2-Hydroxyhexahydro-1H-isoindole-1,3(2H)-dione (CAS 18886-85-6)
- tert-Butyl 4-(3-hydroxycyclobutyl)butanoate (CAS 2502187-86-0)
- Tirzepatide Impurity 59 (CAS CATO-C4X-324059)
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