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| | 4'-(TRIFLUOROMETHYL)PROPIOPHENONE Basic information |
| Product Name: | 4'-(TRIFLUOROMETHYL)PROPIOPHENONE | | Synonyms: | 4'-(Trifluoromethyl)propiophenone,97%;4'-(Trifluoromethyl)propiophenone 97%;1-(4-(trifluoromethyl)phenyl)propan-1-one;p-Trifluoromethylpropiophenone, min. 97%;1-[4-(Trifluoromethyl)phenyl]-1-propanone;Ethyl 4-(trifluoromethyl)phenyl ketone;4-(TRIFLUOROMETHYL)PROPIOPHENONE;p-trifluoromethylpropiophenone | | CAS: | 711-33-1 | | MF: | C10H9F3O | | MW: | 202.17 | | EINECS: | | | Product Categories: | C10;Carbonyl Compounds;Ketones | | Mol File: | 711-33-1.mol |  |
| | 4'-(TRIFLUOROMETHYL)PROPIOPHENONE Chemical Properties |
| Melting point | 36-39 °C(lit.) | | Boiling point | 216 °C(lit.) | | density | 1,973 g/cm3 | | Fp | 210 °F | | storage temp. | Inert atmosphere,Room Temperature | | form | fused solid | | color | White/colourless | | BRN | 1874014 | | InChI | 1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3 | | InChIKey | QFKOWENRSZZLPK-UHFFFAOYSA-N | | SMILES | CCC(=O)c1ccc(cc1)C(F)(F)F | | CAS DataBase Reference | 711-33-1(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29147000 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4'-(TRIFLUOROMETHYL)PROPIOPHENONE Usage And Synthesis |
| Chemical Properties | solid | | Uses | 4-(Trifluoromethyl)propiophenone is used as a reagent in the preparation of ketones and alcohols in organic synthesis. It is also used as a starting material for the synthesis of various compounds such as 4-(trifluoromethyl)phenylacetic acid, which is used as a building block in the synthesis of pharmaceuticals. | | Synthesis | General procedure for the synthesis of 4-(trifluoromethyl)propiophenone from 1-(4-trifluoromethylphenyl)-1-propanol: First, a solution of 1-(4-trifluoromethylphenyl)-1-propanol prepared in step 1 was mixed with 3.9 kg of tetrabutylammonium hydrogensulphate and 12.3 kg of sodium dihydrogen phosphate dihydrate and dissolved in 32 L of deionized water. Subsequently, the mixture was washed with 10 L of deionized water, and then 318 kg of a 12% aqueous sodium perchlorate solution was added to the mixture, followed by washing the reaction mixture with 35 L of deionized water. The resulting solution was allowed to stand for 30 minutes before the organic layer was separated and mixed with 358 L of deionized water and 18 kg of 38% hydrochloric acid and stirred for 5 minutes. The organic layer was separated and washed with deionized water to finally obtain 378 kg of 4-(trifluoromethyl)propiophenone from the organic layer (yield: 97.2%). | | References | [1] Synthetic Communications, 1989, vol. 19, # 9-10, p. 1735 - 1744
[2] Patent: WO2006/112565, 2006, A1. Location in patent: Page/Page column 16-17
[3] Journal of Medicinal Chemistry, 1995, vol. 38, # 20, p. 3918 - 3932
[4] European Journal of Medicinal Chemistry, 1995, vol. 30, # 1, p. 85 - 94
[5] Journal of Organic Chemistry, 2003, vol. 68, # 4, p. 1594 - 1596 |
| | 4'-(TRIFLUOROMETHYL)PROPIOPHENONE Preparation Products And Raw materials |
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