methyl 2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-(1H-pyrazol-1-yl)-6-(trifluoromethyl)phenyl]-2-oxoacetate

Base Information

• Chemical Name: methyl 2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-(1H-pyrazol-1-yl)-6-(trifluoromethyl)phenyl]-2-oxoacetate
• CAS No.: 1596367-90-6
• Molecular Formula: C₂₁H₂₁F₃N₂O₃
• Molecular Weight: 406.405
• Mol file: 1596367-90-6.mol

Synonyms:methyl 2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-(1H-pyrazol-1-yl)-6-(trifluoromethyl)phenyl]-2-oxoacetate

Chemical Property of methyl 2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-(1H-pyrazol-1-yl)-6-(trifluoromethyl)phenyl]-2-oxoacetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-(1H-pyrazol-1-yl)-6-(trifluoromethyl)phenyl]-2-oxoacetate

There total 7 articles about methyl 2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-(1H-pyrazol-1-yl)-6-(trifluoromethyl)phenyl]-2-oxoacetate 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:

C20H19F3N2O3 + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-(1H-pyrazol-1-yl)-6-(trifluoromethyl)phenyl]-2-oxoacetate (1596367-90-6)

Guidance literature:

With methanol; In Dimethyl ether; cyclohexane; at 0 ℃; for 0.5h;

Reference yield:

2-fluoro-5-trifluoromethylphenol (141483-15-0) → methyl 2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-(1H-pyrazol-1-yl)-6-(trifluoromethyl)phenyl]-2-oxoacetate (1596367-90-6)

Guidance literature:

Multi-step reaction with 7 steps

1.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.75 h / 0 °C / Inert atmosphere

2.1: potassium tert-butylate; n-butyllithium / hexane; tetrahydrofuran / 2 h / -78 °C / Inert atmosphere

2.2: 0.75 h / -78 °C / Inert atmosphere

3.1: toluene-4-sulfonic acid / dichloromethane; ethanol / 50 °C

4.1: triethylamine / dichloromethane / 0.75 h / -78 °C / Inert atmosphere

5.1: sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; water / tetrahydrofuran / 1 h / 60 °C

6.1: sodium hydride / mineral oil; N,N-dimethyl acetamide / 5 h / 20 - 70 °C / Inert atmosphere

7.1: methanol / cyclohexane; Dimethyl ether / 0.5 h / 0 °C

With methanol; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; potassium tert-butylate; water; sodium hydride; sodium carbonate; toluene-4-sulfonic acid; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; ethanol; hexane; Dimethyl ether; dichloromethane; N,N-dimethyl acetamide; cyclohexane; mineral oil;

Reference yield:

1-fluoro-2-(methoxymethoxy)-4-(trifluoro methyl)benzene (866615-03-4) → methyl 2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-(1H-pyrazol-1-yl)-6-(trifluoromethyl)phenyl]-2-oxoacetate (1596367-90-6)

Guidance literature:

Multi-step reaction with 6 steps

1.1: potassium tert-butylate; n-butyllithium / hexane; tetrahydrofuran / 2 h / -78 °C / Inert atmosphere

1.2: 0.75 h / -78 °C / Inert atmosphere

2.1: toluene-4-sulfonic acid / dichloromethane; ethanol / 50 °C

3.1: triethylamine / dichloromethane / 0.75 h / -78 °C / Inert atmosphere

4.1: sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; water / tetrahydrofuran / 1 h / 60 °C

5.1: sodium hydride / mineral oil; N,N-dimethyl acetamide / 5 h / 20 - 70 °C / Inert atmosphere

6.1: methanol / cyclohexane; Dimethyl ether / 0.5 h / 0 °C

With methanol; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; potassium tert-butylate; water; sodium hydride; sodium carbonate; toluene-4-sulfonic acid; triethylamine; In tetrahydrofuran; ethanol; hexane; Dimethyl ether; dichloromethane; N,N-dimethyl acetamide; cyclohexane; mineral oil;

upstream raw materials:

2-fluoro-5-trifluoromethylphenol

2-[2-(4,4-dimethylcyclohex-1-en-1-yl)-3-fluoro-6-(trifluoromethyl)phenyl]-2-oxoacetic acid

1-fluoro-2-(methoxymethoxy)-4-(trifluoro methyl)benzene

diazomethyl-trimethyl-silane