2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) ester

Base Information

• Chemical Name: 2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) ester
• CAS No.: 299182-36-8
• Molecular Formula: C₄₀H₄₄N₄O₁₅S₅
• Molecular Weight: 981.137
• Mol file: 299182-36-8.mol

Synonyms:2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) ester

Chemical Property of 2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) ester

There total 9 articles about 2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) 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: 17.0%

4-methylsulfanyl-3-(morpholine-4-sulfonyl)-benzoyl chloride + 5-[4-[(methylsulfonyl)-3-nitrobenzoyl]amino]-2-[(E)-2-[4-amino-2-sulfophenyl]ethenyl]benzenesulfonic acid, bis(1-methylethyl) ester (299182-30-2) → 2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) ester (299182-36-8)

Guidance literature:

With potassium carbonate; In tetrahydrofuran;

DOI:10.1016/S0968-0896(01)00324-8

Reference yield:

4-(methylthio)benzoic acid (13205-48-6,562836-64-0) → 2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) ester (299182-36-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 15 g / ethyl acetate

2: oxalyl chloride; DMF / CH₂Cl₂ / 2 h / 0 °C

3: 17 percent / K₂CO₃ / tetrahydrofuran

With oxalyl dichloride; potassium carbonate; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; ethyl acetate;

DOI:10.1016/S0968-0896(01)00324-8

Reference yield:

trans-4,4'-diaminostilbene-2,2'-disulfonic acid (28096-93-7) → 2-[(E)-2-[2-(isopropoxysulfonyl)-4-[4-(methylsulfonyl)-3-nitrobenzoyl]aminophenyl]ethenyl]-5-[4-[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]benzenesulfonic acid, (1-methylethyl) ester (299182-36-8)

Guidance literature:

Multi-step reaction with 5 steps

1: 72 percent / sodium carbonate / dioxane

2: 75 percent / dioxane / Heating

3: 77 percent / piperidine / dimethylformamide / 3 h / 0 - 20 °C

4: 56 percent / K₂CO₃ / tetrahydrofuran

5: 17 percent / K₂CO₃ / tetrahydrofuran

With piperidine; sodium carbonate; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1016/S0968-0896(01)00324-8

upstream raw materials:

5-[4-[(methylsulfonyl)-3-nitrobenzoyl]amino]-2-[(E)-2-[4-amino-2-sulfophenyl]ethenyl]benzenesulfonic acid, bis(1-methylethyl) ester

4-(methylthio)benzoic acid

trans-4,4'-diaminostilbene-2,2'-disulfonic acid

4-Methanesulfonyl-3-nitro-benzoyl chloride

Downstream raw materials:

5-[[4-(methylsulfonyl)-3-nitrobenzoyl]amino]-2-[(E)-2-[4-[[4-(methylthio)-3-(4-morpholinylsulfonyl)benzoyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid