Benzoic acid, 3-[4-[(4-bromo-2-fluorophenyl)methyl]-3-butyl-4,5-dihydro-5-oxo-1H-1,2, 4-triazol-1-yl]-4-chloro-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 3-[4-[(4-bromo-2-fluorophenyl)methyl]-3-butyl-4,5-dihydro-5-oxo-1H-1,2, 4-triazol-1-yl]-4-chloro-, methyl ester
• CAS No.: 159547-10-1
• Molecular Formula: C21H20BrClFN3O3
• Molecular Weight: 496.764
• Mol file: 159547-10-1.mol

Synonyms:

Chemical Property of Benzoic acid, 3-[4-[(4-bromo-2-fluorophenyl)methyl]-3-butyl-4,5-dihydro-5-oxo-1H-1,2, 4-triazol-1-yl]-4-chloro-, methyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

Technology Process of Benzoic acid, 3-[4-[(4-bromo-2-fluorophenyl)methyl]-3-butyl-4,5-dihydro-5-oxo-1H-1,2, 4-triazol-1-yl]-4-chloro-, methyl ester

There total 1 articles about Benzoic acid, 3-[4-[(4-bromo-2-fluorophenyl)methyl]-3-butyl-4,5-dihydro-5-oxo-1H-1,2, 4-triazol-1-yl]-4-chloro-, methyl 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:

4-bromo-2-fluorobenzyl bromide (76283-09-5) + 5n-Butyl-2-[2-chloro-5-(methoxycarbonyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (147776-48-5) → 4-(4-bromo-2-fluorobenzyl)-5-n-butyl-2-[2-chloro-5-(methoxycarbonyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (159547-10-1)

Guidance literature:

With sodium hydride; Multistep reaction; 1.) DMF, 50 deg C, 3 h, 2.) DMF, 90 deg C, overnight;

DOI:10.1021/jm00019a004

Reference yield: 76.0%

N-butylamine (109-73-9,85404-21-3) + 4-(4-bromo-2-fluorobenzyl)-5-n-butyl-2-[2-chloro-5-(methoxycarbonyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (159547-10-1) → 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)

Guidance literature:

at 65 ℃;

DOI:10.1021/jm00019a004

Reference yield:

4-(4-bromo-2-fluorobenzyl)-5-n-butyl-2-[2-chloro-5-(methoxycarbonyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (159547-10-1) → 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)

Guidance literature:

In dichloromethane; N-butylamine;

upstream raw materials:

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:

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

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

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

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