2-(trifluoromethyl)quinoline-7-carboxylic Acid

Base Information

• Chemical Name: 2-(trifluoromethyl)quinoline-7-carboxylic Acid
• CAS No.: 868662-63-9
• Molecular Formula: C₁₁H₆F₃NO₂
• Molecular Weight: 241.169
• DSSTox Substance ID: DTXSID40468423
• Nikkaji Number: J2.244.587A
• Wikidata: Q82295611
• Mol file: 868662-63-9.mol

Synonyms:2-(trifluoromethyl)quinoline-7-carboxylic Acid;868662-63-9;2-Trifluoromethylquinoline-7-carboxylic acid;2-(TRIFLUOROMETHYL)-QUINOLINE-7-CARBOXYLIC ACID;DTXSID40468423;WEFALJALMGHWBI-UHFFFAOYSA-N;AMY26699;MFCD08166671;AKOS015945241;SB70995;AS-67400;2-(trifluoromethyl)quinoline-7-carboxylicAcid;K10206

Chemical Property of 2-(trifluoromethyl)quinoline-7-carboxylic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 329.469oC at 760 mmHg
• Flash Point: 153.058oC
• PSA: 50.19000
• Density: 1.481g/cm3
• LogP: 2.95180
• XLogP3: 2.6
• 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:

95% ^*data from raw suppliers

2-TRIFLUOROMETHYLQUINOLINE-7-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(trifluoromethyl)quinoline-7-carboxylic Acid

There total 3 articles about 2-(trifluoromethyl)quinoline-7-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: 77.0%

1-iodo-3,3,4,4,4-pentafluorobutyl acetate + meta-aminobenzoic acid (99-05-8,159139-79-4) → 2-trifluoromethyl-7-carboxyquinoline (868662-63-9)

Guidance literature:

In 1,2-dichloro-ethane; for 36h; Heating;

DOI:10.1021/jo050586d

Reference yield:

3-trifluoromethyl-1-(3-carboxyphenylamino)-3-(3-carboxyphenylimino)propene → 2-trifluoromethyl-7-carboxyquinoline (868662-63-9)

Guidance literature:

With acetic acid; In 1,2-dichloro-ethane; at 80 ℃; for 6h;

DOI:10.1021/jo050586d

Reference yield:

meta-aminobenzoic acid (99-05-8,159139-79-4) → 2-trifluoromethyl-7-carboxyquinoline (868662-63-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 59 percent / CH₂Cl₂ / 1 h / Heating

2: acetic acid / 1,2-dichloro-ethane / 6 h / 80 °C

With acetic acid; In dichloromethane; 1,2-dichloro-ethane;

DOI:10.1021/jo050586d

upstream raw materials:

meta-aminobenzoic acid

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