80194-69-0

Basic information

• Product Name: 5-(Trifluoromethyl)pyridine-2-carboxylic acid
• Synonyms: 5-(TRIFLUOROMETHYL)PICOLINIC ACID;5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID;5-TRIFLUOROMETHYL-2-PYRIDINECARBOXYLIC ACID;5-Trifluoromethyl-2-Pyridineca;5-(Trifluoromethyl)pyridine-2-carboxylic acid 97%;5-(Trifluoromethyl)pyridine-2-carboxylicacid97%;5-(Trifluoromethyl)picolinic acid, 2-Carboxy-5-(trifluoromethyl)pyridine;5- three-2-forMic acidfluorineMethyl pyridine
• CAS NO: 80194-69-0
• Molecular Formula: C₇H₄F₃NO₂
• Molecular Weight: 191.11
• Product Categories: Carboxylic Acids;Pyridines;Carboxylic Acids;Fluorine series
• Mol File: 80194-69-0.mol
• Article Data: 4

Chemical Properties

• Melting Point: 135-137°C
• Boiling Point: 273.738 °C at 760 mmHg
• Flash Point: 119.353 °C
• Appearance: Pale brown/Powder
• Density: 1.485 g/cm³
• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.475
• Storage Temp.: Room temperature.
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 3.13±0.10(Predicted)
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 5-(Trifluoromethyl)pyridine-2-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(Trifluoromethyl)pyridine-2-carboxylic acid(80194-69-0)
• EPA Substance Registry System: 5-(Trifluoromethyl)pyridine-2-carboxylic acid(80194-69-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 80194-69-0(Hazardous Substances Data)

Usage

Description

5-(Trifluoromethyl)pyridine-2-carboxylic acid is a chemical compound characterized by the presence of a trifluoromethyl group attached to a pyridine ring, with a carboxylic acid functional group at the 2nd position. This molecule is known for its potential applications in the pharmaceutical industry, particularly in the development of drugs targeting specific enzymes.

Uses

Used in Pharmaceutical Industry:
5-(Trifluoromethyl)pyridine-2-carboxylic acid is used as an intermediate in the synthesis of β-secretase (BACE) inhibitors for the treatment of Alzheimer's disease. BACE inhibitors are designed to reduce the production of amyloid-beta peptides, which are implicated in the pathogenesis of Alzheimer's disease. The trifluoromethyl group in this compound may enhance the potency and selectivity of the resulting BACE inhibitors, making it a valuable component in the development of novel therapeutic agents.

InChI:InChI=1/C7H4F3NO2/c8-7(9,10)4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13)

Upstream product

• 50488-42-1 2-bromo-5-(trifluoromethyl)pyridine 
• 67-56-1 methanol 
• 201230-82-2 carbon monoxide 
• 52334-81-3 2-chloro-5-trifluoromethylpyridine 
• 95727-86-9 2-cyano-5-trifluoro-methylpyridine 
• 124-38-9 carbon dioxide 
• 100366-75-4 2‐iodo‐5‐(trifluoromethyl)pyridine 

Downstream Products

• 95651-16-4 2-isocyanato-5-(trifluoromethyl)pyridine 
• 1076189-08-6 C₁₈H₁₆F₄N₄OS 
• 1254364-53-8 C₃₁H₃₆BF₃N₄O₇ 
• 1211518-35-2 6-chloro-5-(trifluoromethyl)-pyridine-2-carboxylic acid methyl ester 
• 124236-37-9 5-(trifluoromethyl)-pyridine-2-carboxylic acid methyl ester 
• 1575753-33-1 N-(2-morpholinophenyl)-5-(trifluoromethyl)picolinamide 
• 1575754-39-0 N-phenyl-5-(trifluoromethyl)picolinamide 
• 1610539-73-5 (E)-methyl 2-(6-benzyl-7-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ylidene)acetate 
• 1285695-08-0 N-benzyl-5-(trifluoromethyl)picolinamide 
• 1006364-88-0 methyl 5-(trifluoromethyl)-6-oxo-1,6-dihydropyridine-2-carboxylate 
• 248274-16-0 1-(5-(trifluoromethyl)pyridin-2-yl)ethan-1-one 
• 1997306-77-0 (4S,5R)-4,5-diphenyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole 
• 1997306-77-0 (4S,5S)-4,5-diphenyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole 

Relevant articles and documents

AMIDE COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE AND MICROBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE AND MICROBICIDE

In crop production in the fields of agriculture, horticulture, and the like, the damage caused by insect pests etc. is still immense, and insect pests resistant to existing insecticides have emerged. Under such circumstances, the development of novel agricultural and horticultural insecticides is desired. The present invention, provides an amide compound represented by the general formula (I): (wherein A1, A2 and A3 each represent a nitrogen atom or a CH group, R1 represents an alkyl group, R2 and R4 each represent a haloalkyl groups, R3 represents an alkyl group, and m represents 0, 1 or 2) or a salt thereof; an agricultural and horticultural insecticide and microbicide comprising the compound or a salt thereof as an active ingredient; and a method for using the insecticide and microbicide.

Recommendable routes to trifluoromethyl-substituted pyridine- and quinolinecarboxylic acids

As part of a case study, rational strategies for the preparation of all ten 2-, 3-, or 4-pyridinecarboxylic acids and all nine 2-, 3-, 4-, or 8-quinolinecarboxylic acids bearing trifluoromethyl substituents at the 2-, 3-, or 4-position were elaborated. The trifluoromethyl group, if not already present in the precursor, was introduced either by the deoxygenative fluorination of suitable carboxylic acids with sulfur tetrafluoride or by the displacement of ring-bound bromine or iodine by trifluoromethylcopper generated in situ. The carboxy function was produced by treatment of organolithium or organomagnesium intermediates, products of halogen/metal or hydrogen/ metal permutation, with carbon dioxide. ( Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).