|
|
| | 6-FLUORONICOTINIC ACID METHYL ESTER Basic information |
| | 6-FLUORONICOTINIC ACID METHYL ESTER Chemical Properties |
| Melting point | 48-52 °C | | Boiling point | 210.3±20.0 °C(Predicted) | | density | 1.243±0.06 g/cm3(Predicted) | | Fp | 99 °C | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | pka | -2.47±0.10(Predicted) | | form | Solid | | color | White to Light yellow | | InChI | InChI=1S/C7H6FNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3 | | InChIKey | HLYBWNNPVXFCPZ-UHFFFAOYSA-N | | SMILES | C1=NC(F)=CC=C1C(OC)=O | | CAS DataBase Reference | 1427-06-1(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 22-41 | | Safety Statements | 26-36/37/39-45 | | WGK Germany | 3 | | HS Code | 29333990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1 |
| | 6-FLUORONICOTINIC ACID METHYL ESTER Usage And Synthesis |
| Synthesis | General procedure for the synthesis of methyl 6-fluoronicotinate: 6-fluoronicotinate (255 mg, 1.32 mmol) was dissolved in methanol (5 mL) at room temperature, followed by the addition of (trimethylmethylsilyl) diazomethane (4.0 mL, 2 M of ether solution, 8.0 mmol). The reaction mixture was stirred at room temperature for 30 min and then concentrated. The resulting methyl 6-fluoronicotinate (129 mg, 47% yield) was used without further purification. Its nuclear magnetic resonance hydrogen spectrum (1H NMR, 600 MHz, DMSO-d6) data were as follows: δ 8.79 (d, J=2.6 Hz, 1H), 8.47 (td, J=7.9,2.6 Hz, 1H), 7.35 (ddd, J=8.5,2.6,0.6 Hz, 1H), 3.88 (s, 3H). The calculated value for electrospray ionization mass spectrometry (ESIMS) was 156.0 (M++H) and the measured value was 156.1 (M++H). | | References | [1] Patent: WO2007/2248, 2007, A2. Location in patent: Page/Page column 76 |
| | 6-FLUORONICOTINIC ACID METHYL ESTER Preparation Products And Raw materials |
|