KR-33494

Base Information

• Chemical Name: KR-33494
• CAS No.: 1021497-97-1
• Molecular Formula: C₂₀H₁₈BrN₃O₃S
• Molecular Weight: 460.351
• Mol file: 1021497-97-1.mol

Synonyms:4-[2-(4-bromophenylsulfanyl)acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid

Chemical Property of KR-33494

Chemical Property:

Purity/Quality:

97% ^*data from raw suppliers

KR-33494 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of KR-33494

There total 4 articles about KR-33494 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: 91.5%

4-[2-(4-bromo-phenylsulfanyl)-acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester (1021497-75-5) → 4-[2-(4-bromophenylsulfanyl)acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid (1021497-97-1)

Guidance literature:

4-[2-(4-bromo-phenylsulfanyl)-acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester; With sodium hydroxide; In methanol; Heating; Inert atmosphere;

With hydrogenchloride; In water;

Reference yield:

methyl 4-nitro-1-(2-phenylethyl)-1H-pyrazole-3-carboxylate (1021498-05-4) → 4-[2-(4-bromophenylsulfanyl)acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid (1021497-97-1)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogen / palladium 10% on activated carbon / methanol / 0.5 h / 30402 Torr

2: triethylamine / tetrahydrofuran / 24 h

3: triethylamine / tetrahydrofuran / 1 h

4: sodium hydroxide; water / methanol / 1 h

With sodium hydroxide; water; hydrogen; triethylamine; palladium 10% on activated carbon; In tetrahydrofuran; methanol;

Reference yield:

1-phenyl-2-bromoethane (103-63-9) → 4-[2-(4-bromophenylsulfanyl)acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid (1021497-97-1)

Guidance literature:

Multi-step reaction with 5 steps

1: caesium carbonate / N,N-dimethyl-formamide / 24 h

2: hydrogen / palladium 10% on activated carbon / methanol / 0.5 h / 30402 Torr

3: triethylamine / tetrahydrofuran / 24 h

4: triethylamine / tetrahydrofuran / 1 h

5: sodium hydroxide; water / methanol / 1 h

With sodium hydroxide; water; hydrogen; caesium carbonate; triethylamine; palladium 10% on activated carbon; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

upstream raw materials:

4-[2-(4-bromo-phenylsulfanyl)-acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester

methyl 4-nitro-1-(2-phenylethyl)-1H-pyrazole-3-carboxylate

4-(2-bromoacetylamino)-1-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester

1-phenyl-2-bromoethane

Downstream raw materials:

4-[2-(4-bromo-phenylsulfanyl)-acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid (2-chloro-ethyl)-amide

4-[2-(4-bromo-phenylsulfanyl)-acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid amide

2-(4-bromo-phenylsulfanyl)-N-[3-(4,5-dihydro-oxazol-2-yl)-1-phenethyl-1H-pyrazol-4-yl]-acetamide