2-cyano-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzyl acetate

Base Information

• Chemical Name: 2-cyano-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzyl acetate
• CAS No.: 1187196-51-5
• Molecular Formula: C₂₀H₁₃Cl₂F₃N₂O₃
• Molecular Weight: 457.236
• Mol file: 1187196-51-5.mol

Synonyms:2-cyano-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzyl acetate

Chemical Property of 2-cyano-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzyl acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-cyano-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzyl acetate

There total 3 articles about 2-cyano-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzyl 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: 30.0%

2-(bromomethyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-isoxazol-3-yl]benzonitrile (1187196-47-9) + sodium acetate (127-09-3) → 2-cyano-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzyl acetate (1187196-51-5)

Guidance literature:

In N,N-dimethyl-formamide; at 70 ℃; for 5h;

Reference yield:

4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzonitrile (930110-37-5) → 2-cyano-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzyl acetate (1187196-51-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / 2,2'-azobis(isobutyronitrile) / 1,1-dichloroethane / 3 h / Reflux

2: N,N-dimethyl-formamide / 5 h / 70 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In 1,1-dichloroethane; N,N-dimethyl-formamide;

Reference yield:

5-(3,5-dichloro-phenyl)-3-(4-bromo-3-methyl-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole → 2-cyano-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzyl acetate (1187196-51-5)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 4 h / 80 °C / Inert atmosphere

2: N-Bromosuccinimide / 2,2'-azobis(isobutyronitrile) / 1,1-dichloroethane / 3 h / Reflux

3: N,N-dimethyl-formamide / 5 h / 70 °C

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 2,2'-azobis(isobutyronitrile); In 1,1-dichloroethane; N,N-dimethyl-formamide;

upstream raw materials:

2-(bromomethyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-isoxazol-3-yl]benzonitrile

sodium acetate

4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzonitrile

Downstream raw materials:

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]-2-benzofuran-1(3H)-imine