|
|
| | 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID
Basic information | | Uses |
| Product Name: | 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID
| | Synonyms: | 3-carboxyl-6-trifluoromethyl-1H-pyridin-2-one;2-Hydroxy-6-triflroromethylnicotinic acid;2-Hydroxy-6-triflroroMethyl-3-pyridinecarboxylic acid;2-Hydroxy-6-(trifluoromethyl)nicotinic acid;2-Hydroxy-6-(trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-2-hydroxy-6-(trifluoromethyl)pyridine;2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid;2-Hydroxy-6-(trifluromethyl)nicotinicacid;3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-6-(trifluoromethyl)- | | CAS: | 191595-63-8 | | MF: | C7H4F3NO3 | | MW: | 207.11 | | EINECS: | 671-164-4 | | Product Categories: | carboxylic acid;Carboxylic Acids;Pyridines;Carboxylic Acids | | Mol File: | 191595-63-8.mol |  |
| | 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID
Chemical Properties |
| Melting point | 165-167°C | | Boiling point | 328.9±42.0 °C(Predicted) | | density | 1.632±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | pka | 1.99±0.20(Predicted) | | form | solid | | Appearance | Light yellow to light brown Solid | | InChI | 1S/C7H4F3NO3/c8-7(9,10)4-2-1-3(6(13)14)5(12)11-4/h1-2H,(H,11,12)(H,13,14) | | InChIKey | JPOIZUVDMRHIIT-UHFFFAOYSA-N | | SMILES | OC(=O)c1ccc(nc1O)C(F)(F)F |
| WGK Germany | WGK 3 | | HS Code | 2933399990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID
Usage And Synthesis |
| Uses | 2-Hydroxy-6-trifluoromethylnicotinic acid is an important pharmaceutical intermediate, mainly used in the fields of medicine, food, and feed. It can also be used as an intermediate for bactericides. | | Synthesis | Step 1, in a 250 ml three-necked flask, 10 g of 2-hydroxy-6-trifluoromethylnicotinonitrile, 16.2 g of phosphorus pentachloride and 40 g of phosphorus triclosan were added, heated to 100C, followed by HPLC, and the reaction was carried out for 6 h. The raw material was finished reacting, cooled, and was added to iced water, and was extracted by methylene chloride, and the organic phase was dried, filtered by extraction, and spun-dried, to give 9.2 g of solid 2-chloro-6-trifluoro Methylnicotinonitrile, purity is 93%. MS(EI)M+206(80.61)(M+2)+208(25.32).
Step 2, in a 50 ml single-necked flask, add 1 g of 2-chloro-6-trifluoromethylnicotinonitrile and 1.9 g of 40% sulfuric acid prepared in step 1, magnetically stirred, heated in an oil bath at 100 , and tracked by HPLC, reacted for 4 days, the raw material reaction was finished, cooled down, ice water was added, and extracted with ethyl acetate, and spun-dried to obtain 0.88 g of yellow solid 2-hydroxy-6-trifluoromethylnicotinic acid The purity was 95.6%.MS(EI)M+207(37.64). |
| | 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID
Preparation Products And Raw materials |
|