3-Nitro-5-trifluoromethyl-benzoicacidethylester

Base Information

• Chemical Name: 3-Nitro-5-trifluoromethyl-benzoicacidethylester
• CAS No.: 203513-22-8
• Molecular Formula: C10H8F3NO4
• Molecular Weight: 263.173
• Hs Code.: 2916310090
• Mol file: 203513-22-8.mol

Synonyms:Benzoic acid,3-nitro-5-(trifluoromethyl)-,ethyl ester;3-Nitro-5-trifluoromethyl-benzoic acid ethyl ester;ETHYL 3-(TRIFLUOROMETHYL)-5-NITROBENZOATE;

Chemical Property of 3-Nitro-5-trifluoromethyl-benzoicacidethylester

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• PSA: 72.12000
• LogP: 3.31350

Purity/Quality:

99% ^*data from raw suppliers

3-Nitro-5-trifluoromethylbenzoic acid ethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Nitro-5-trifluoromethyl-benzoicacidethylester

There total 2 articles about 3-Nitro-5-trifluoromethyl-benzoicacidethylester 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:

3-nitro-5-trifluoromethyl-benzoic acid (328-80-3) → ethyl 5-(trifluoromethyl)-3-nitrobenzoate (203513-22-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (COCl)2, DMF / CH₂Cl₂ / 18 h

2: tetrahydrofuran / 18 h

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm970671g

Reference yield:

ethanol (64-17-5) + 3-nitro-5-trifluoromethyl-benzoyl chloride (782-79-6) → ethyl 5-(trifluoromethyl)-3-nitrobenzoate (203513-22-8)

Guidance literature:

In tetrahydrofuran; for 18h;

DOI:10.1021/jm970671g

Reference yield: 98.0%

ethyl 5-(trifluoromethyl)-3-nitrobenzoate (203513-22-8) → ethyl 3-amino-5-(trifluoromethyl)benzoate (188781-43-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 2h;

DOI:10.1055/s-2006-950196

upstream raw materials:

ethanol

3-nitro-5-trifluoromethyl-benzoyl chloride

3-nitro-5-trifluoromethyl-benzoic acid

Downstream raw materials:

ethyl 3-amino-5-(trifluoromethyl)benzoate