METHYL 5-FLUOROPYRIDINE-3-CARBOXYLATE manufacturers
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| | METHYL 5-FLUOROPYRIDINE-3-CARBOXYLATE Basic information |
| Product Name: | METHYL 5-FLUOROPYRIDINE-3-CARBOXYLATE | | Synonyms: | METHYL 5-FLUOROPYRIDINE-3-CARBOXYLATE;Methyl5-fluoronicotinate;5-Fluoropyridine-3-carboxylic acid methyl ester;5-Fluoro-nicotinic acid methyl ester;Methyl 5-fluoro-3-pyridinecarboxylate;3-Pyridinecarboxylic acid, 5-fluoro-, methyl ester;3-PYRIDINECARBONYL CHLORIDE, 5-FLUORO-, METHYL ESTER;5-fluoro-2-methyl-3-pyridinecarboxylate | | CAS: | 455-70-9 | | MF: | C7H6FNO2 | | MW: | 155.13 | | EINECS: | | | Product Categories: | | | Mol File: | 455-70-9.mol |  |
| | METHYL 5-FLUOROPYRIDINE-3-CARBOXYLATE Chemical Properties |
| Melting point | 48 °C | | Boiling point | 194.5±25.0 °C(Predicted) | | density | 1.243±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | pka | 0.77±0.20(Predicted) | | form | solid | | Appearance | White to off-white Solid | | InChI | 1S/C7H6FNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3 | | InChIKey | PGCFLXMMCWKPDU-UHFFFAOYSA-N | | SMILES | O=C(OC)C1=CN=CC(F)=C1 |
| Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 29333990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | METHYL 5-FLUOROPYRIDINE-3-CARBOXYLATE Usage And Synthesis |
| Chemical Properties | Light yellow solid | | Uses | Methyl 5-fluoronicotinate | | Synthesis | Example 2.26: Synthesis of methyl 5-fluoronicotinate; To a stirring solution of 243 mg (1.6 mmol) of methyl 5-aminonicotinate dissolved in 5 mL of HF-pyridine at 0 °C was slowly added 119 mg (1.72 mmol) of sodium nitrite (NaNO2). The reaction mixture was stirred continuously at 0 °C for 30 min, then warmed up to 50 °C and kept for 1 hour. Upon completion of the reaction, the reaction was quenched with ice and saturated sodium bicarbonate (NaHCO3) solution. The aqueous phase was extracted with chloroform (CHCl3) and the organic phase was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated. Purification by fast silica gel column chromatography (eluent: 1% methanol/chloroform) afforded 139 mg of methyl 5-fluoronicotinate as a yellow solid in 56% yield. | | References | [1] Patent: WO2006/110668, 2006, A1. Location in patent: Page/Page column 62
[2] Journal of Organic Chemistry, 1949, vol. 14, p. 328,331
[3] Angewandte Chemie - International Edition, 2018, vol. 57, # 31, p. 9896 - 9900
[4] Angew. Chem., 2018, vol. 130, p. 10044 - 10048,5 |
| | METHYL 5-FLUOROPYRIDINE-3-CARBOXYLATE Preparation Products And Raw materials |
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