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| | 3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER Basic information |
| Product Name: | 3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER | | Synonyms: | ETHYL (4-TRIFLUOROMETHYLBENZOYL)ACETATE;ETHYL 3-(4-TRIFLUOROMETHYL-PHENYL)-3-OXOPROPANOATE;Ethyl 2-[4-(TrifluoroMethyl)benzoyl]acetate;beta-Oxo-4-(trifluoromethyl)benzenepropanoic acid ethyl ester;Ethyl 3-(4-trifluoromethylphenyl)-3-oxopropionate;3-Oxo-3-(4-trifluoromethylphenyl)propanoic acid ethyl ester;Benzenepropanoic acid, β-oxo-4-(trifluoromethyl)-, ethyl ester;ethyl β-oxo-4-(trifluoromethyl)-benzenepropanoic acid | | CAS: | 106263-53-0 | | MF: | C12H11F3O3 | | MW: | 260.21 | | EINECS: | | | Product Categories: | C12 to C63;Carbonyl Compounds;Esters | | Mol File: | 106263-53-0.mol |  |
| | 3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER Chemical Properties |
| Boiling point | 248-249 °C(lit.) | | density | 1.270 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.4880(lit.) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | form | liquid | | pka | 9.09±0.25(Predicted) | | color | Light yellow | | InChI | 1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3 | | InChIKey | HVHVSJPSNQIPEM-UHFFFAOYSA-N | | SMILES | CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F | | CAS DataBase Reference | 106263-53-0(CAS DataBase Reference) |
| Hazard Codes | F | | WGK Germany | 3 | | HS Code | 2918300090 | | Storage Class | 10 - Combustible liquids |
| | 3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER Usage And Synthesis |
| Uses | Reactant for:
- In-catalyzed cycloisomerization
- Chiral Lewis base-catalyzed stereoselective reduction with trichlorosilane and water
- Guanidine-catalyzed enantioselective Michael reactions
- Transesterification reactions
- Intermolecular coupling reactions
| | Synthesis | To a stirred 30 mL microwave vial was added a solution of aryl or heteroaryl halides (Br, I) (0.5 mmol) and monoethyl malonate potassium salt (0.75 mmol) in THF (10 mL). Pd(OAc)2 (5 mol%), Xantphos (5 mol%), MgCl2 (0.75 mmol), Et3N (0.75 mmol), imidazole (1 mmol), and Co2(CO)8 (0.15 mmol) were then added sequentially. The vials were immediately sealed and subjected to microwave irradiation at 90 °C for 30 min. After completion of the reaction, the mixture was concentrated and diluted with ethyl acetate and water. The organic layer (ethyl acetate layer) was separated, dried over anhydrous sodium sulfate and then concentrated. The crude product was purified by column chromatography to afford the target compound ethyl 4-trifluoromethylbenzoylacetate. | | References | [1] Tetrahedron Letters, 2014, vol. 55, # 25, p. 3525 - 3528 |
| | 3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER Preparation Products And Raw materials |
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