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| | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde Basic information |
| | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde Chemical Properties |
| Melting point | 114-118 °C (lit.) | | Boiling point | 114-118℃ | | density | 1.331±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | DMSO (Slightly), Methanol (Slightly) | | pka | 6.54±0.23(Predicted) | | form | Powder | | color | Yelloe to pale brown | | Sensitive | Air Sensitive | | InChI | InChI=1S/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3 | | InChIKey | OOGOFUKAJDPHDJ-UHFFFAOYSA-N | | SMILES | C(=O)C1=CC(OC)=C(O)C(F)=C1 | | CAS DataBase Reference | 79418-78-3(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | Hazard Note | Irritant | | HS Code | 2913000090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde is a reagent in the synthesis of series of caffeic acid phenethyl amide (CAPA) fluorinated derivatives. | | Uses | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde may be used to synthesize 3-(3-fluoro-4-hydroxy-5-methoxyphenyl)-N-phenethylacrylamide and 4-[(4-hydroxy-3-fluoro-5-methoxy-benzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one. | | General Description | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde is an aryl fluorinated building block. | | Synthesis | General procedure for the synthesis of 3-fluoro-4-hydroxy-5-methoxybenzaldehyde using 2-fluoro-6-methoxy-4-methylphenol as starting material: substrate 1a (1 mmol), cobalt salt (n1 mol%), and NaOH (n2 equivalents) were dissolved in ethylene glycol (5 mL) and the reaction was stirred for 8 hr at 80°C under oxygen (1 atm) atmosphere. Upon completion of the reaction, hydrochloric acid (10 mL, 2%) and methyl tert-butyl ether (MTBE, 10 mL) were sequentially added to the reaction mixture. The organic layer was separated and the aqueous phase was further extracted with MTBE (10 mL × 2). The organic phases were combined, dried with anhydrous sodium sulfate and concentrated to give the residue. The residue was purified by silica gel column chromatography (eluent: petroleum ether/ethyl acetate, 10/1) to give the target product 2a. | | References | [1] Tetrahedron Letters, 2014, vol. 55, # 8, p. 1406 - 1411
[2] Green Chemistry, 2014, vol. 16, # 5, p. 2807 - 2814
[3] Green Chemistry, 2014, vol. 16, # 3, p. 1248 - 1254 |
| | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde Preparation Products And Raw materials |
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