2-(4-methylbenzyl)-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine

Base Information

• Chemical Name: 2-(4-methylbenzyl)-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine
• CAS No.: 1558786-87-0
• Molecular Formula: C₁₃H₁₃N₃O₃S
• Molecular Weight: 291.331
• Mol file: 1558786-87-0.mol

Synonyms:2-(4-methylbenzyl)-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine

Chemical Property of 2-(4-methylbenzyl)-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-(4-methylbenzyl)-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine

There total 3 articles about 2-(4-methylbenzyl)-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine 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: 55.0%

1-(4-methylbenzyl)sulfamoyl-1H-pyrrole-2-carboxylic acid (1558786-85-8) → 2-(4-methylbenzyl)-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine (1558786-87-0)

Guidance literature:

With diphenyl phosphoryl azide; triethylamine; In toluene; at 70 ℃; for 12h;

DOI:10.1002/hc.21123

Reference yield:

C14H16N2O4S → 2-(4-methylbenzyl)-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine (1558786-87-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / tetrahydrofuran; mineral oil; water / 12 h / 20 °C

2: triethylamine; diphenyl phosphoryl azide / toluene / 12 h / 70 °C

With diphenyl phosphoryl azide; triethylamine; sodium hydroxide; In tetrahydrofuran; water; toluene; mineral oil; 2: |Curtius Rearrangement;

DOI:10.1002/hc.21123

Reference yield:

4-methylbenzylsulfamoyl chloride (1314925-75-1) → 2-(4-methylbenzyl)-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine (1558786-87-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydride / tetrahydrofuran; mineral oil / 30 h / 0 °C

2: sodium hydroxide / tetrahydrofuran; mineral oil; water / 12 h / 20 °C

3: triethylamine; diphenyl phosphoryl azide / toluene / 12 h / 70 °C

With diphenyl phosphoryl azide; sodium hydride; triethylamine; sodium hydroxide; In tetrahydrofuran; water; toluene; mineral oil; 3: |Curtius Rearrangement;

DOI:10.1002/hc.21123

upstream raw materials:

1-(4-methylbenzyl)sulfamoyl-1H-pyrrole-2-carboxylic acid

4-methylbenzylsulfamoyl chloride

Downstream raw materials:

C₂₀H₁₈ClN₃O₃S

C₂₀H₁₈FN₃O₃S

C₂₁H₂₁N₃O₃S

C₂₁H₂₁N₃O₄S