5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

Base Information

• Chemical Name: 5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
• CAS No.: 159547-12-3
• Molecular Formula: C₃₄H₄₁ClFN₅O₄S
• Molecular Weight: 670.248
• Mol file: 159547-12-3.mol

Synonyms:5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

Chemical Property of 5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

There total 4 articles about 5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one 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:

2-(tert-butylamino)sulfonylphenylboronic acid (150691-04-6) + 4-(4-Bromo-2-fluorobenzyl)-5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chloro-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (159547-11-2) → 5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (159547-12-3)

Guidance literature:

With sodium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; toluene; at 90 ℃; for 4h;

DOI:10.1021/jm00019a004

Reference yield:

4-bromo-2-fluorobenzyl bromide (76283-09-5) → 5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (159547-12-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF, 50 deg C, 3 h, 2.) DMF, 90 deg C, overnight

2: 76 percent / 65 °C

3: Pd(PPh₃)4, NaOH / toluene; ethanol / 4 h / 90 °C

With sodium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydride; In ethanol; toluene;

DOI:10.1021/jm00019a004

Reference yield:

5n-Butyl-2-[2-chloro-5-(methoxycarbonyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (147776-48-5) → 5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (159547-12-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF, 50 deg C, 3 h, 2.) DMF, 90 deg C, overnight

2: 76 percent / 65 °C

3: Pd(PPh₃)4, NaOH / toluene; ethanol / 4 h / 90 °C

With sodium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydride; In ethanol; toluene;

DOI:10.1021/jm00019a004

upstream raw materials:

2-(tert-butylamino)sulfonylphenylboronic acid

4-(4-Bromo-2-fluorobenzyl)-5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chloro-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

4-bromo-2-fluorobenzyl bromide

5n-Butyl-2-[2-chloro-5-(methoxycarbonyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

Downstream raw materials:

5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one