Benzoic acid, 4-amino-3-(trifluoromethyl)-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 4-amino-3-(trifluoromethyl)-, ethyl ester
• CAS No.: 688020-69-1
• Molecular Formula: C10H10F3NO2
• Molecular Weight: 233.19
• Mol file: 688020-69-1.mol

Synonyms:4-amino-3-trifluoromethyl-benzoic acid ethyl ester;BENZOIC ACID, 4-AMINO-3-(TRIFLUOROMETHYL)-, ETHYL ESTER;

Chemical Property of Benzoic acid, 4-amino-3-(trifluoromethyl)-, ethyl ester

Chemical Property:

• Melting Point: 83-85 °C
• Boiling Point: 319.3±42.0 °C(Predicted)
• PKA: -0.63±0.10(Predicted)
• PSA: 52.32000
• Density: 1.298±0.06 g/cm3(Predicted)
• LogP: 3.04550

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl4-amino-3-(trifluoromethyl)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-amino-3-(trifluoromethyl)-, ethyl ester

There total 6 articles about Benzoic acid, 4-amino-3-(trifluoromethyl)-, 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: 100.0%

ethanol (64-17-5) + N-(4-cyano-2-(trifluoromethyl)phenyl)acetamide (175277-96-0) → ethyl 4-amino-3-(trifluoromethyl)benzoate (688020-69-1)

Guidance literature:

With hydrogenchloride; at 70 ℃; for 2.75h;

Reference yield: 91.0%

→ ethyl 4-amino-3-(trifluoromethyl)benzoate (688020-69-1)

Guidance literature:

With 1-acetoxy-1,2-benziodoxol-3-one; potassium acetate; In acetonitrile; at 80 ℃; for 13h;

Reference yield: 90.0%

Togni's reagent II (887144-94-7) + p-aminoethylbenzoate (94-09-7) → ethyl 4-amino-3-(trifluoromethyl)benzoate (688020-69-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 75 ℃; for 6h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.151538

upstream raw materials:

ethanol

N-(4-cyano-2-(trifluoromethyl)phenyl)acetamide

4-cyano-2-trifluoromethylaniline

Langlois reagent

Downstream raw materials:

2-chloro-N-(4-(ethoxycarbonyl)-2-trifluoromethylphenyl)ethanamide

4-amino-3-(trifluoromethyl)benzoic acid

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