| Company Name: |
Alfa Aesar |
| Tel: |
400-6106006 |
| Email: |
saleschina@alfa-asia.com |
| Company Name: |
Energy Chemical |
| Tel: |
400-0056266 |
| Email: |
sales8178@energy-chemical.com |
|
| | Methyl 4-fluorobenzoylacetate Basic information |
| | Methyl 4-fluorobenzoylacetate Chemical Properties |
| Boiling point | 91°C/5mm | | density | 1.228 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.521(lit.) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | pka | 9.80±0.25(Predicted) | | form | Liquid | | color | Clear colorless to dark yellow | | BRN | 3050469 | | InChI | 1S/C10H9FO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3 | | InChIKey | HGLVYXXPRSNKQN-UHFFFAOYSA-N | | SMILES | COC(=O)CC(=O)c1ccc(F)cc1 | | CAS DataBase Reference | 63131-29-3(CAS DataBase Reference) |
| Safety Statements | 23-24/25 | | WGK Germany | 3 | | HS Code | 29183000 | | Storage Class | 10 - Combustible liquids |
| | Methyl 4-fluorobenzoylacetate Usage And Synthesis |
| Chemical Properties | clear yellow liquid | | Uses | Methyl 4-fluorobenzoylacetate was used in the synthesis of:
- 3-amino-4-(-4-fluoro-phenyl)furazan
- series of substituted coumarin derivatives, potential 5-lipoxygenase inhibitors
| | Synthesis | Anhydrous tetrahydrofuran (540 mL), dimethyl carbonate (235.2 g, 2.61 mol) and sodium hydrogen (130.5 g, 3.263 mol, 60%) were added to a dry reaction flask then the mixture was heated to reflux, and a solution of anhydrous tetrahydrofuran (180 mL) of p-fluoroacetophenone (180.3 g, 1.305 mol) was slowly added dropwise, the dropwise addition process was titrated over a period of 4 hours. Refluxing of the reaction solution was continued for another 0.5 h. The reaction was monitored by TLC (ethyl acetate:petroleum ether v/v=1:6, Rf=0.3) and the reaction solution was cooled to 0C. Excess sodium hydroxide was quenched dropwise by addition of a mixture of 90 ml of methanol and 270 ml of tetrahydrofuran. The reaction solution was poured into a mixture of saturated ammonium chloride and ice, hydrochloric acid adjusted pH = 3,ethyl acetate, respectively, washed with water, saline, drying, concentrated under reduced pressure to obtain the crude product (292.9 g.100%) oil.
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| | Methyl 4-fluorobenzoylacetate Preparation Products And Raw materials |
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