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| | 2-FLUORONICOTINIC ACID METHYL ESTER Basic information |
| | 2-FLUORONICOTINIC ACID METHYL ESTER Chemical Properties |
| Melting point | 22-26 °C | | Boiling point | 75 °C/5 mmHg | | density | 1.243±0.06 g/cm3(Predicted) | | Fp | 110 °C | | storage temp. | Inert atmosphere,Room Temperature | | pka | -2.47±0.10(Predicted) | | form | liquid | | Appearance | Colorless to light yellow Liquid | | InChI | 1S/C7H6FNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3 | | InChIKey | PJNHJXKXBSOLBH-UHFFFAOYSA-N | | SMILES | COC(=O)c1cccnc1F | | CAS DataBase Reference | 446-26-4(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26 | | WGK Germany | 3 | | HS Code | 2933399990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-FLUORONICOTINIC ACID METHYL ESTER Usage And Synthesis |
| Synthesis | GENERAL METHOD: To a solution of methyl 2-chloronicotinate (1.00 g, 6.76 mmol) in DMSO (33.8 mL) was added CsF (2.053 g, 13.51 mmol) at room temperature. The reaction mixture was stirred at 110 °C for 20 h in air. Upon completion of the reaction, the reaction mixture was quenched with ice water and extracted with EtOAc (3 × 20 mL). The organic layers were combined, washed sequentially with water and saturated brine, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: hexane/EtOAc gradient elution) to afford methyl 2-fluoronicotinate (0.639 g, 4.86 mmol, 71.9% yield) as a colorless oil. The synthesis of compounds 3B'-8B' was carried out with reference to the preparation steps of 2B'. | | References | [1] Tetrahedron Letters, 2015, vol. 56, # 44, p. 6043 - 6046 |
| | 2-FLUORONICOTINIC ACID METHYL ESTER Preparation Products And Raw materials |
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