C₁₆H₁₂N₂O₄S

Base Information

• Chemical Name: C₁₆H₁₂N₂O₄S
• CAS No.: 1312610-42-6
• Molecular Formula: C₁₆H₁₂N₂O₄S
• Molecular Weight: 328.348
• Mol file: 1312610-42-6.mol

Synonyms:C₁₆H₁₂N₂O₄S

Chemical Property of C₁₆H₁₂N₂O₄S

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₁₆H₁₂N₂O₄S

There total 3 articles about C₁₆H₁₂N₂O₄S 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: 58.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + methyl 4-(7-bromo-5,6-benzo[c][1,2,5]thiadiazol-4-yl)benzoate (1132711-33-1) → C16H12N2O4S (1312610-42-6)

Guidance literature:

With triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; at 120 ℃; for 16h; under 15001.5 Torr; Autoclave;

Reference yield:

4,7-dibromobenzo[c][1,2,5]thiadiazole (15155-41-6) → C16H12N2O4S (1312610-42-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene; water / 12 h / 90 °C / Inert atmosphere

2: triethylamine / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 16 h / 120 °C / 15001.5 Torr / Autoclave

With sodium carbonate; triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In water; toluene; 1: Suzuki Coupling;

Reference yield:

benzo[1,2,5]thiadiazole (273-13-2,22706-22-5) → C16H12N2O4S (1312610-42-6)

Guidance literature:

Multi-step reaction with 3 steps

1: bromine; hydrogen bromide / water / 4 h / Reflux

2: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene; water / 12 h / 90 °C / Inert atmosphere

3: triethylamine / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 16 h / 120 °C / 15001.5 Torr / Autoclave

With hydrogen bromide; bromine; sodium carbonate; triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In water; toluene; 2: Suzuki Coupling;

upstream raw materials:

methanol

carbon monoxide

methyl 4-(7-bromo-5,6-benzo[c][1,2,5]thiadiazol-4-yl)benzoate

4,7-dibromobenzo[c][1,2,5]thiadiazole

Downstream raw materials:

C₁₄H₈N₂O₄S

C₁₆H₁₀Br₂N₂O₂S

C₄₀H₄₈N₆O₁₂S

C₄₀H₄₈N₁₀O₆S