3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-[[(2-methoxyeth yl)methylamino]methyl]-5-(4-nitrophenyl)-, ethyl ester

Base Information

• Chemical Name: 3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-[[(2-methoxyeth yl)methylamino]methyl]-5-(4-nitrophenyl)-, ethyl ester
• CAS No.: 308832-01-1
• Molecular Formula: C28H31F2N3O7S
• Molecular Weight: 591.633
• Mol file: 308832-01-1.mol

Synonyms:ethyl 2-[N-(2,6-difluorobenzyl)-N-ethoxycarbonylamino]-4-[N-(2-methoxyethyl)-N-methylaminomethyl]-5-(4-nitrophenyl)thiophene-3-carboxylate;ethyl 2-[N-(2,6-difluorobenzyl)-N-ethoxycarbonyl]amino-4-[N-(2-methoxyethyl)-N-methylaminomethyl]-5-(4-nitrophenyl)thiophene-3-carboxylate;2-[N-(2,6-difluorobenzyl)-N-ethoxycarbonyl]amino-4-[N-(2-methoxyethyl)-N-methylaminomethyl]-5-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester;

Chemical Property of 3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-[[(2-methoxyeth yl)methylamino]methyl]-5-(4-nitrophenyl)-, ethyl ester

Chemical Property:

• Boiling Point: 688.5±55.0 °C(Predicted)
• PSA: 142.37000
• Density: 1.314±0.06 g/cm3(Predicted)
• LogP: 6.54270

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-[[(2-methoxyeth yl)methylamino]methyl]-5-(4-nitrophenyl)-, ethyl ester

There total 4 articles about 3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-[[(2-methoxyeth yl)methylamino]methyl]-5-(4-nitrophenyl)-, 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: 79.0%

4-(bromomethyl)-2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-5-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester (308831-95-0) + N-methyl-N-(2-methoxyethyl)amine (38256-93-8) → ethyl 2-[(2,6-difluorobenzyl)(ethoxycarbonyl)amino]-4-{[(2-methoxyethyl)(methyl)amino]methyl}-5-(4-nitrophenyl)thiophene-3-carboxylate (308832-01-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethyl acetate; at 15 - 25 ℃; for 20h;

Reference yield:

2-((ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester (308831-93-8) → ethyl 2-[(2,6-difluorobenzyl)(ethoxycarbonyl)amino]-4-{[(2-methoxyethyl)(methyl)amino]methyl}-5-(4-nitrophenyl)thiophene-3-carboxylate (308832-01-1)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 44 h / 20 °C

2: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / ethyl acetate / 3.5 h / Reflux

3: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 20 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); potassium carbonate; N-ethyl-N,N-diisopropylamine; potassium iodide; In ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm200216q

Reference yield:

2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester (308831-94-9) → ethyl 2-[(2,6-difluorobenzyl)(ethoxycarbonyl)amino]-4-{[(2-methoxyethyl)(methyl)amino]methyl}-5-(4-nitrophenyl)thiophene-3-carboxylate (308832-01-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / ethyl acetate / 3.5 h / Reflux

2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 20 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); N-ethyl-N,N-diisopropylamine; In ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm200216q

upstream raw materials:

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

N-methyl-N-(2-methoxyethyl)amine

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

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

Downstream raw materials:

ethyl 5-(4-aminophenyl)-2-[(2,6-difluorobenzyl)(ethoxycarbonyl)amino]-4-{[(2-methoxyethyl)(methyl)amino]methyl}thiophene-3-carboxylate

1-(2,6-difluorobenzyl)-5-[N-(2-methoxyethyl)-N-methylaminomethyl]-3-(3,4-methylenedioxyphenyl)-6-(4-nitrophenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

ethyl 2-[(2,6-difluorobenzyl)(ethoxycarbonyl)amino]-5-{4-[(methoxycarbamoyl)amino]phenyl}-4-{[(2-methoxyethyl)(methyl)amino]methyl}thiophene-3-carboxylate

2-[(2,6-difluorobenzyl)(ethoxycarbonyl)amino]-5-{4-[(methoxycarbamoyl)amino]phenyl}-4-{[(2-methoxyethyl)(methyl)amino]methyl}thiophene-3-carboxylic acid