2-[3-(Trifluoromethyl)phenoxy]nicotinic acid

Base Information

• Chemical Name: 2-[3-(Trifluoromethyl)phenoxy]nicotinic acid
• CAS No.: 36701-89-0
• Molecular Formula: C13H8 F3 N O3
• Molecular Weight: 283.207
• Hs Code.: 2933399090
• European Community (EC) Number: 609-284-6
• DSSTox Substance ID: DTXSID60957940
• Nikkaji Number: J661.243A
• Wikidata: Q82938426
• Mol file: 36701-89-0.mol

Synonyms:36701-89-0;2-[3-(trifluoromethyl)phenoxy]nicotinic acid;2-(3-(Trifluoromethyl)phenoxy)nicotinic acid;2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid;2-(3-trifluoromethylphenoxy)nicotinic acid;Acide 2-(3'-trifluoromethyl) phenoxy nicotinique [French];2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid;3-Pyridinecarboxylic acid, 2-(3-(trifluoromethyl)phenoxy)-;Acide 2-(3'-trifluoromethyl) phenoxy nicotinique;Diflufenican metabolite AE B107137;2-(3-(Trifluoromethyl)phenoxy)nicotinicacid;2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINICACID;2-[3-(Trifluoromethyl)phenoxy]-3-pyridinecarboxylic acid;diflufenican TP2;2-(3-Trifluoromethyl-phenoxy)-nicotinic acid;SCHEMBL2333429;DTXSID60957940;MFCD01938784;AKOS000212468;AE B107137;12P-365S;2-(3-trifluoromethylphenoxy) nicotinic acid;LS-131059;CS-0206436;FT-0680084;D86467;3-[(3-Carboxypyridin-2-yl)oxy]benzotrifluoride;AK-105/40835700;SR-01000307606;A1-41524;J-505715;SR-01000307606-1;2-[3-(trifluoromethyl)phenoxy]nicotinic acid, AldrichCPR;Diflufenican metabolite AE B107137 100 microg/mL in Acetonitrile

Chemical Property of 2-[3-(Trifluoromethyl)phenoxy]nicotinic acid

Chemical Property:

• Vapor Pressure: 5.31E-06mmHg at 25°C
• Melting Point: 156-159°C
• Boiling Point: 366°Cat760mmHg
• Flash Point: 175.2°C
• PSA: 59.42000
• Density: 1.421g/cm³
• LogP: 3.59090
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 283.04562760
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

97% ^*data from raw suppliers

2-[3-(trifluoromethyl)phenoxy]nicotinic acid 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F
• Uses: 2-[3-(Trifluoromethyl)phenoxy]nicotinic Acid (cas# 36701-89-0) is a useful reagent for the preparation of difluoroalkylarenes via photocatalytic alkylation of trifluoromethylarenes with alkenes.

Technology Process of 2-[3-(Trifluoromethyl)phenoxy]nicotinic acid

There total 7 articles about 2-[3-(Trifluoromethyl)phenoxy]nicotinic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.2%

2-chloronicotinic acid (2942-59-8) + 3-Trifluoromethylphenol (98-17-9) → 2(3-trifluoromethylphenoxy)N (1,1-dimethylpropargyl)nicotinamide (77616-34-3) + 2-(3-Trifluoromethyl-phenoxy)-nicotinic acid (36701-89-0)

Guidance literature:

With sodium methylate; In methanol;

Reference yield: 84.0%

C22H16F3N3O3 → 2-(3-Trifluoromethyl-phenoxy)-nicotinic acid (36701-89-0)

Guidance literature:

With ethanol; sodium hydroxide; at 80 ℃; for 6h;

Reference yield: 28.0%

2-chloronicotinic acid (2942-59-8) + 3-Trifluoromethylphenol (98-17-9) → 2-(3-Trifluoromethyl-phenoxy)-nicotinic acid (36701-89-0)

Guidance literature:

With copper(l) iodide; copper; potassium carbonate; In N,N-dimethyl-formamide; at 140 ℃; for 0.5h; Microwave irradiation;

upstream raw materials:

2-chloronicotinic acid

3-Trifluoromethylphenol

N-(2,4-difluorophenyl)-2-(3-trifluoromethylphenoxy)-3-pyridinecarboxamide

m-TFO^(1-)

Downstream raw materials:

N-[4-(1-Hydroxy-1-methyl-ethyl)-benzyl]-2-(3-trifluoromethyl-phenoxy)-nicotinamide

N-(2,4-difluorophenyl)-2-(3-trifluoromethylphenoxy)-3-pyridinecarboxamide

(3,4-dihydro-2H-quinolin-1-yl)-[2-(3-trifluoromethyl-phenoxy)-pyridin-3-yl]-methanone

2-(3-trifluoromethylphenoxy)-3-pyridinecarboxylic acid chloride

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