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

Safety Information

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 (191595-63-8)Related Product Information

• Nicotinic acid
• N-Methylpropionamide
• TARTRONIC ACID
• Pyridine
• 2-Hydroxy-6-(trifluoromethyl)nicotinamide
• 2-HYDROXY-6-(TRIFLUOROMETHYL)PYRIDINE
• 2-Hydroxy-6-trifluoromethyl nicotinonitrile
• 2-Methylnicotinic acid
• 5-Hydroxynicotinic acid
• 5-(bromomethyl)-2-(trifluoromethyl)pyridine
• 2-HYDROXY-4-METHYL-6-(TRIFLUOROMETHYL)NICOTINIC ACID
• 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINICACID
• RARECHEM AL BO 1059
• 2-Hydroxy-6-methylpyridine-3-carboxylic acid
• 6-(Trifluoromethyl)nicotinic acid