ethyl 2-(5-(3’-(methylsulfonyl)-[1,1’-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate

Base Information

• Chemical Name: ethyl 2-(5-(3’-(methylsulfonyl)-[1,1’-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
• CAS No.: 1454288-88-0
• Molecular Formula: C₂₁H₁₉F₃N₂O₄S
• Molecular Weight: 452.454
• Mol file: 1454288-88-0.mol

Synonyms:ethyl 2-(5-(3’-(methylsulfonyl)-[1,1’-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate

Chemical Property of ethyl 2-(5-(3’-(methylsulfonyl)-[1,1’-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

Rovazolac ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Rovazolac, is a liver x receptor (LXR) modulator.

Technology Process of ethyl 2-(5-(3’-(methylsulfonyl)-[1,1’-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate

There total 5 articles about ethyl 2-(5-(3’-(methylsulfonyl)-[1,1’-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate 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: 81.0%

ethyl 2-(5-(3'-(methylthio)-[1,1'-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate (1454290-69-7) → ethyl 2-(5-(3’-(methylsulfonyl)-[1,1’-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate (1454288-88-0)

Guidance literature:

With Oxone; In methanol; water; at 20 ℃; for 1.5h;

Reference yield:

ethyl 2-(5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate (1454290-67-5) → ethyl 2-(5-(3’-(methylsulfonyl)-[1,1’-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate (1454288-88-0)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / N,N-dimethyl-formamide / 3 h / 90 °C / Inert atmosphere

2: Oxone / methanol; water / 1.5 h / 20 °C

With Oxone; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In methanol; water; N,N-dimethyl-formamide;

Reference yield:

para-bromoacetophenone (99-90-1) → ethyl 2-(5-(3’-(methylsulfonyl)-[1,1’-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate (1454288-88-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -78 °C

1.2: -78 - 20 °C

2.1: methanol / 1 h / Reflux

3.1: caesium carbonate / acetonitrile / 6 h / 80 °C

4.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / N,N-dimethyl-formamide / 3 h / 90 °C / Inert atmosphere

5.1: Oxone / methanol; water / 1.5 h / 20 °C

With Oxone; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; caesium carbonate; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

para-bromoacetophenone

4,4,4-trifluoro-1-(4-bromophenyl)butane-1,3-dione

5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazole

ethyl 2-(5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate

Downstream raw materials:

ethyl 2-(4-bromo-5-(3'-(methylsulfonyl)biphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate

2-(5-(3'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid

2-(dimethylamino)ethyl 2-(5-(3'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate

2-(dimethylamino)ethyl 2-(4-bromo-5-(3'-(methylsulfonyl)biphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate