methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]acetate

Base Information

• Chemical Name: methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]acetate
• CAS No.: 1596341-38-6
• Molecular Formula: C₂₇H₂₉F₃N₂O₄
• Molecular Weight: 502.533
• Mol file: 1596341-38-6.mol

Synonyms:methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]acetate

Chemical Property of methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]acetate

There total 13 articles about methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]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: 50.0%

methyl 2-(tert-butoxy)-2-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-3-[(trifluoromethane)sulfonyloxy]-6-(trifluoromethyl)phenyl]acetate (1596341-34-2) + 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (761446-44-0) → methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]acetate (1596341-38-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; at 85 ℃;

Reference yield: 50.0%

→ methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]acetate (1596341-38-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; at 85 ℃; Inert atmosphere;

Reference yield:

2-fluoro-5-trifluoromethylphenol (141483-15-0) → methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]acetate (1596341-38-6)

Guidance literature:

Multi-step reaction with 12 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: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; water / 1,4-dioxane / 0.25 h / 85 °C

6.1: sodium hydride / mineral oil; N,N-dimethyl-formamide / 0.5 h / 0 - 20 °C / Inert atmosphere

6.2: 3 h / 0 - 60 °C / Inert atmosphere

7.1: methanol / cyclohexane; diethyl ether / 0.5 h / 0 - 20 °C

8.1: sodium tetrahydroborate / tetrahydrofuran / 1.5 h / 0 °C

9.1: perchloric acid / 2 h / 0 - 20 °C

10.1: hydrogen; palladium on activated charcoal / ethyl acetate / 40 °C

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

12.1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane; water / 85 °C

With methanol; sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; perchloric acid; palladium on activated charcoal; potassium tert-butylate; water; hydrogen; sodium hydride; potassium carbonate; toluene-4-sulfonic acid; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; 1,4-dioxane; diethyl ether; ethanol; hexane; dichloromethane; cyclohexane; water; ethyl acetate; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

methyl 2-(tert-butoxy)-2-[2-(3 ,4-dihydro-2H-1-benzopyran-6-yl)-3-hydroxy-6-(trifluoromethyl)phenyl]acetate

methyl 2-(tert-butoxy)-2-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-3-[(trifluoromethane)sulfonyloxy]-6-(trifluoromethyl)phenyl]acetate

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

2-fluoro-5-trifluoromethylphenol

Downstream raw materials:

2-(tert-butoxy)-2-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-3-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)phenyl]acetic acid