Methyl 3-nitro-4-trifluoromethylbenzoate

Base Information

• Chemical Name: Methyl 3-nitro-4-trifluoromethylbenzoate
• CAS No.: 126541-81-9
• Molecular Formula: C9H6F3NO4
• Molecular Weight: 249.146
• Hs Code.: 2916399090
• Mol file: 126541-81-9.mol

Synonyms:methyl 3-nitro-4-(trifluoromethyl)benzoate;benzoic acid, 3-nitro-4-(trifluoromethyl)-, methyl ester;

Chemical Property of Methyl 3-nitro-4-trifluoromethylbenzoate

Chemical Property:

• Vapor Pressure: 0.000772mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 306.4 °C at 760 mmHg
• Flash Point: 139.1 °C
• PSA: 72.12000
• Density: 1.442 g/cm³
• LogP: 2.92340
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 3-nitro-4-(trifluoromethyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 3-nitro-4-trifluoromethylbenzoate

There total 5 articles about Methyl 3-nitro-4-trifluoromethylbenzoate 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:

2,2-difluoro-2-(fluorosulfonyl)acetate (680-15-9) + methyl 4-bromo-3-nitrobenzoate (2363-16-8) → methyl 3-nitro-4-(trifluoromethyl)benzoate (126541-81-9)

Guidance literature:

methyl 4-bromo-3-nitrobenzoate; With copper(l) iodide; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h; Inert atmosphere;

2,2-difluoro-2-(fluorosulfonyl)acetate; In N,N-dimethyl-formamide; at 110 ℃; for 3h;

Reference yield:

3-nitro-4-(trifluoromethyl)benzoic acid (116965-16-3) + methyl iodide (74-88-4) → methyl 3-nitro-4-(trifluoromethyl)benzoate (126541-81-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 1h;

Reference yield:

4-bromo-3-nitrobenzoic acid (6319-40-0) → methyl 3-nitro-4-(trifluoromethyl)benzoate (126541-81-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sulfuric acid / water / 2 h / 20 °C / Reflux

2.1: copper(l) iodide / N,N-dimethyl-formamide / 0.17 h / 20 °C / Inert atmosphere

2.2: 3 h / 110 °C

With copper(l) iodide; sulfuric acid; In water; N,N-dimethyl-formamide;

upstream raw materials:

diazomethane

3-nitro-4-(trifluoromethyl)benzoic acid

4-trifluoromethylbenzoic acid

4-bromo-3-nitrobenzoic acid

Downstream raw materials:

3-bromo-4-(trifluoromethyl)benzoic acid

Refernces

• 1、 -. "TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF". . . Retrieved 2016/10/31.
• 2、 -. "TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF". . . Retrieved 2015/12/30.