6-(trifluoromethyl)quinoline-2-carboxylic Acid

Base Information

• Chemical Name: 6-(trifluoromethyl)quinoline-2-carboxylic Acid
• CAS No.: 849818-58-2
• Molecular Formula: C₁₁H₆F₃NO₂
• Molecular Weight: 241.169
• UNII: AP914NOO4G
• DSSTox Substance ID: DTXSID40457312
• Wikidata: Q82280119
• Mol file: 849818-58-2.mol

Synonyms:6-(trifluoromethyl)quinoline-2-carboxylic Acid;849818-58-2;6-Trifluoromethyl-quinoline-2-carboxylic acid;Torcetrapib metabolite M4;AP914NOO4G;2-Quinolinecarboxylic acid, 6-(trifluoromethyl)-;6-(Trifluoromethyl)-2-quinolinecarboxylic acid;UNII-AP914NOO4G;SCHEMBL1285735;DTXSID40457312;AMY26311;ZIB81858;MFCD11108691;AKOS022172138;SB69972;AS-30847;CS-0099699;FT-0725628;6-(trifluoromethyl)quinoline-2-carboxylicAcid;A849925;6-(trifluoromethyl)quinoline-2-carboxylic acid,99%;J-518139

Chemical Property of 6-(trifluoromethyl)quinoline-2-carboxylic Acid

Chemical Property:

• PSA: 50.19000
• LogP: 2.95180
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 241.03506292
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

6-(trifluoromethyl)quinoline-2-carboxylicacid 99 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=N2)C(=O)O)C=C1C(F)(F)F

Technology Process of 6-(trifluoromethyl)quinoline-2-carboxylic Acid

There total 3 articles about 6-(trifluoromethyl)quinoline-2-carboxylic 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:

6-trifluoromethyl-quinoline-2-carboxylic acid butyl ester (849818-57-1) → 6-(trifluoromethyl)quinoline-2-carboxylic acid (849818-58-2)

Guidance literature:

6-trifluoromethyl-quinoline-2-carboxylic acid butyl ester; With sodium hydroxide; water; In methanol;

With hydrogenchloride;

Reference yield:

4-trifluoromethylphenylamine (455-14-1) → 6-(trifluoromethyl)quinoline-2-carboxylic acid (849818-58-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / toluene; water / 2 h / Reflux

2: selenium(IV) oxide / 1,4-dioxane / 3 h / Reflux

With hydrogenchloride; selenium(IV) oxide; In 1,4-dioxane; water; toluene; 1: |Doebner-Miller Quinoline Synthesis;

DOI:10.1016/j.tet.2014.06.076

Reference yield:

2-methyl-6-(trifluoromethyl)-quinoline (66023-21-0) → 6-(trifluoromethyl)quinoline-2-carboxylic acid (849818-58-2)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane; for 3h; Reflux;

DOI:10.1016/j.tet.2014.06.076

upstream raw materials:

6-trifluoromethyl-quinoline-2-carboxylic acid butyl ester

4-trifluoromethylphenylamine

2-methyl-6-(trifluoromethyl)-quinoline

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