2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid

Base Information

• Chemical Name: 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid
• CAS No.: 1589503-95-6
• Molecular Formula: C₂₄H₂₃F₂N₃O₆S
• Molecular Weight: 519.526
• Mol file: 1589503-95-6.mol

Synonyms:

Chemical Property of 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid

Chemical Property:

• Boiling Point: 653.5±55.0 °C(Predicted)
• Density: 1.408±0.06 g/cm3(Predicted)

Purity/Quality:

99.9% ^*data from raw suppliers

2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylicacid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid

There total 11 articles about 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-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: 94.3%

ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate (1589503-97-8) → 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid (1589503-95-6)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 45 - 50 ℃;

Reference yield:

4-(bromomethyl)-2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-5-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester (308831-95-0) → 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid (1589503-95-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / N,N-dimethyl-formamide / 2 h / 25 °C

2: potassium hydroxide / water; ethanol / 5 h / 65 °C

With triethylamine; potassium hydroxide; In ethanol; water; N,N-dimethyl-formamide;

Reference yield:

2-Amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester (174072-89-0) → 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid (1589503-95-6)

Guidance literature:

Multi-step reaction with 5 steps

1: pyridine / dichloromethane / 2 h / 25 °C

2: potassium iodide; potassium carbonate / N,N-dimethyl-formamide / 12 h / 25 °C

3: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chlorobenzene / 10 h / 80 °C / Inert atmosphere

4: triethylamine / N,N-dimethyl-formamide / 2 h / 25 °C

5: potassium hydroxide / water; ethanol / 5 h / 65 °C

With pyridine; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); potassium carbonate; triethylamine; potassium iodide; potassium hydroxide; In ethanol; dichloromethane; water; N,N-dimethyl-formamide; chlorobenzene;

upstream raw materials:

2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester

4-(bromomethyl)-2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-5-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester

ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate

1-(4-nitrophenyl)propan-2-one

Downstream raw materials:

TAK-385