6-Chloro-2-(trifluoromethyl)nicotinic acid

Base Information

• Chemical Name: 6-Chloro-2-(trifluoromethyl)nicotinic acid
• CAS No.: 261635-83-0
• Molecular Formula: C₇H₃ClF₃NO₂
• Molecular Weight: 225.555
• Hs Code.: 2933399090
• European Community (EC) Number: 807-763-6
• DSSTox Substance ID: DTXSID40465811
• Nikkaji Number: J2.126.888G
• Wikidata: Q82292054
• Mol file: 261635-83-0.mol

Synonyms:6-Chloro-2-(trifluoromethyl)nicotinic acid;261635-83-0;6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic Acid;3-Pyridinecarboxylic acid, 6-chloro-2-(trifluoromethyl)-;MFCD11840271;6-chloro-2-(trifluoromethyl)nicotinicacid;SCHEMBL1267198;AMY6608;DTXSID40465811;UDYRRHUXOXTWBD-UHFFFAOYSA-N;AKOS016003915;CS-W000652;NL-0038;SY110200;EN300-132728;S10304;3-Pyridinecarboxylicacid,6-chloro-2-(trifluoromethyl)-;Z1269215958

Chemical Property of 6-Chloro-2-(trifluoromethyl)nicotinic acid

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 160-162 °C(Solv: chloroform (67-66-3))
• Boiling Point: 281.673°C at 760 mmHg
• PKA: 2.29±0.36(Predicted)
• Flash Point: 124.151°C
• PSA: 50.19000
• Density: 1.604g/cm³
• LogP: 2.45200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 224.9804405
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

98% ^*data from raw suppliers

6-Chloro-2-(trifluoromethyl)nicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=NC(=C1C(=O)O)C(F)(F)F)Cl
• Uses: 6-Chloro-2-(trifluoromethyl)nicotinic Acid can be used as melanocortin subtype-?2 receptor antagonists.

Technology Process of 6-Chloro-2-(trifluoromethyl)nicotinic acid

There total 7 articles about 6-Chloro-2-(trifluoromethyl)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: 100.0%

ethyl 6-chloro-2-(trifluoromethyl)pyridine-3-carboxylate (261635-82-9) → 6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid (261635-83-0)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 3h;

Reference yield: 91.0%

6-hydroxy-2-(trifluoromethyl)nicotinic acid → 6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid (261635-83-0)

Guidance literature:

With triethylamine; trichlorophosphate; In 5,5-dimethyl-1,3-cyclohexadiene; at 22 - 140 ℃; Reagent/catalyst; Solvent;

Reference yield:

6-chloro-2-trifluoromethyl-5-trimethylsilanyl-nicotinic acid → 6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid (261635-83-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 25 ℃; for 20h;

DOI:10.1002/ejoc.200400066

upstream raw materials:

2-chloro-6-trifluoromethyl-3-(trimethylsilyl)pyridine

ethyl 6-chloro-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-hydroxy-2-(trifluoromethyl)pyridine-3-carboxylate

Downstream raw materials:

6-chloro-2-(trifluoromethyl)pyridin-3-amine

Refernces

• 1、 -. "Herbicides". Paragraph 0251-0253. . Retrieved 2018/12/03.
• 2、 -. "HERBICIDES". Page/Page column 32; 33. . Retrieved 2017/10/30.