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| | Methyl 5-fluoropicolinate Basic information |
| Product Name: | Methyl 5-fluoropicolinate | | Synonyms: | 2-Pyridinecarboxylicacid,5-fluoro-,methylester(9CI);5-Fluoropyridine-2-carboxylic acid methyl ester;Methyl 5-fluoropicolinate;5-fluoro-2-pyridinecarboxylic acid methy;2-PYRIDINECARBOXYLIC ACID, 5-FLUORO-, METHYL ESTER;5-fluoro-2-pyridinecarboxylic acid methyl ester;methyl 5-fluoro-2-pyridinecarboxylate;5-fluoropyridine methyl formate | | CAS: | 107504-07-4 | | MF: | C7H6FNO2 | | MW: | 155.13 | | EINECS: | | | Product Categories: | HALIDE | | Mol File: | 107504-07-4.mol |  |
| | Methyl 5-fluoropicolinate Chemical Properties |
| Boiling point | 217.2±20.0 °C(Predicted) | | density | 1.243±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | pka | -0.73±0.10(Predicted) | | form | solid | | color | Off-white | | InChI | InChI=1S/C7H6FNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3 | | InChIKey | KCMBKUFSDZMQEM-UHFFFAOYSA-N | | SMILES | C1(C(OC)=O)=NC=C(F)C=C1 |
| | Methyl 5-fluoropicolinate Usage And Synthesis |
| Uses | Methyl 5-fluoropicolinate is a fluoroorganic heterocyclic compound that can be used in the preparation of BTK inhibitors or degradation agents for the treatment of BTK-related diseases such as tumours or autoimmune system disorders. | | Synthesis | General procedure for the synthesis of methyl 5-fluoropyridinecarboxylate: 5 g of 5-fluoropyridine-2-carboxylic acid was added to 50 mL of methanol and 2.7 mL of thionyl chloride was added slowly and dropwise. The reaction mixture was transferred to a sealed microwave reaction flask and the reaction was stirred at 65 °C for 2 hours. After completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was dissolved in a solvent mixture of dichloromethane and methanol and filtered through a silica gel column. The filtrate was collected and concentrated under reduced pressure to give 5.9 g of the target compound, methyl 5-fluoropyridinecarboxylate. Thin layer chromatography showed an Rf value of 0.77 (Method K). Mass spectrometry analysis showed a molecular ion peak (M + H)+ of 156. | | References | [1] Patent: WO2013/79460, 2013, A1. Location in patent: Page/Page column 46
[2] Patent: US2013/137688, 2013, A1. Location in patent: Paragraph 0239; 0240; 0241
[3] Patent: CN108003161, 2018, A. Location in patent: Paragraph 0628; 0630-0632 |
| | Methyl 5-fluoropicolinate Preparation Products And Raw materials |
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