tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate

Base Information

• Chemical Name: tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate
• CAS No.: 870822-98-3
• Molecular Formula: C₂₆H₂₆Cl₂F₃N₃O₆S
• Molecular Weight: 636.476
• Mol file: 870822-98-3.mol

Synonyms:tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate

Chemical Property of tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate

There total 5 articles about tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate 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:

tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]benzoyl}-β-alaninate (870822-97-2) → tert-butyl N-{4-[(1R)-1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]benzoyl}-β-alaninate (870822-99-4) + tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate (870822-98-3)

Guidance literature:

Resolution of enantiomers;

Reference yield:

trifluoromethylsulfonic anhydride (358-23-6) + tert-butyl N-(4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]ethyl}benzoyl)-β-alaninate (1383937-87-8) → tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate (870822-98-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -78 ℃; for 1h;

DOI:10.1021/jm300579z

Reference yield:

ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate (172168-01-3) → tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]-benzoyl}-β-alaninate (870822-98-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid / 4 h / Reflux

2.1: sodium hydroxide / 1,4-dioxane; methanol / 1 h / 60 °C

2.2: 3 h / 20 °C

3.1: triethylamine / tetrahydrofuran / 1 h / -78 °C

With acetic acid; triethylamine; sodium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol;

DOI:10.1021/jm300579z

upstream raw materials:

tert-butyl N-{4-[1-(3-(3,5-dichlorophenyl)-5-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrazol-1-yl)ethyl]benzoyl}-β-alaninate

ethyl 4-{(1S)1-[3-(3,5-dichlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]ethyl}benzoate

trifluoromethylsulfonic anhydride

tert-butyl N-(4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]ethyl}benzoyl)-β-alaninate

Downstream raw materials:

N-[(4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methylnaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl}phenyl)carbonyl]-β-alanine

N-({4-[(1S)-1-{3-(3,5-dichlorophenyl)-5-[6-(propan-2-yl)naphthalen-2-yl]-1H-pyrazol-1-yl}ethyl]phenyl}carbonyl)-β-alanine

MK-0893