Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester

Base Information

• Chemical Name: Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester
• CAS No.: 76874-96-9
• Molecular Formula: C18H18F3NO5
• Molecular Weight: 385.3344
• DSSTox Substance ID: DTXSID00227679
• Wikidata: Q83107494
• Mol file: 76874-96-9.mol

Synonyms:BRN 6074481;76874-96-9;Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester;2-(2-Hydroxyethoxy)ethyl 5-hydroxy-2-((3-trifluoromethyl)phenylamino)benzoate;2-(2-Hydroxyethoxy)ethyl 5-hydroxy-N-(3-trifluoromethylphenyl)anthranilat [German];5-Hydroxy-2-((3-(trifluoromethyl)phenyl)amino)benzoic acid 2-(2-hydroxyethoxy)ethyl ester;2-(2-Hydroxyethoxy)ethyl 5-hydroxy-N-(3-trifluoromethylphenyl)anthranilat;C18H18F3NO5;DTXSID00227679;LS-37698;EN300-22932901;2-(2-HYDROXYETHOXY)ETHYL 5-HYDROXY-2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}BENZOATE

Chemical Property of Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester

Chemical Property:

• Vapor Pressure: 1.82E-10mmHg at 25°C
• Boiling Point: 491.2°C at 760 mmHg
• Flash Point: 250.9°C
• Density: 1.382g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 385.11370716
• Heavy Atom Count: 27
• Complexity: 463

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC2=C(C=C(C=C2)O)C(=O)OCCOCCO)C(F)(F)F

Technology Process of Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester

There total 6 articles about Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester 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: 92.0%

5-Benzyloxy-2-(3-trifluoromethyl-phenylamino)-benzoic acid 2-(2-hydroxy-ethoxy)-ethyl ester (82578-50-5) → 5-hydroxy-etofenamate (76874-96-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

Reference yield:

2-chloro-5-nitrobenzoic acid (2516-96-3) → 5-hydroxy-etofenamate (76874-96-9)

Guidance literature:

Multi-step reaction with 7 steps

1: 97 percent / H₂ / Pt

2: 1) NaNO₂

3: 87 percent / NaOH

4: 49.8 percent / K₂CO₃ / Cu powder / 2 h / 160 °C

5: CH₃OK

6: 69.8 percent / CH₃OK / 2 h / 140 °C

7: 92 percent / H₂ / 10percent Pd/C / methanol

With sodium hydroxide; potassium methanolate; hydrogen; potassium carbonate; sodium nitrite; palladium on activated charcoal; copper; platinum; In methanol;

Reference yield:

2-chloro-5-aminobenzoic acid (89-54-3) → 5-hydroxy-etofenamate (76874-96-9)

Guidance literature:

Multi-step reaction with 6 steps

1: 1) NaNO₂

2: 87 percent / NaOH

3: 49.8 percent / K₂CO₃ / Cu powder / 2 h / 160 °C

4: CH₃OK

5: 69.8 percent / CH₃OK / 2 h / 140 °C

6: 92 percent / H₂ / 10percent Pd/C / methanol

With sodium hydroxide; potassium methanolate; hydrogen; potassium carbonate; sodium nitrite; palladium on activated charcoal; copper; In methanol;

upstream raw materials:

5-Benzyloxy-2-(3-trifluoromethyl-phenylamino)-benzoic acid 2-(2-hydroxy-ethoxy)-ethyl ester

2-chloro-5-nitrobenzoic acid

2-chloro-5-aminobenzoic acid

5-(benzyloxy)-2-chlorobenzoic acid