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

Base Information

• Chemical Name: 4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzonitrile
• CAS No.: 930110-37-5
• Molecular Formula: C₁₈H₁₁Cl₂F₃N₂O
• Molecular Weight: 399.199
• Mol file: 930110-37-5.mol

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

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

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

There total 5 articles about 4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzonitrile 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: 66.0%

zinc(II) cyanide (557-21-1) + 5-(3,5-dichloro-phenyl)-3-(4-bromo-3-methyl-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole → 4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzonitrile (930110-37-5)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃; for 4h; Inert atmosphere;

Reference yield:

(Z)-4-(3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-2-enonyl)-2-methyl-benzonitrile → 4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzonitrile (930110-37-5)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 6h; Inert atmosphere;

Reference yield:

3,5-dichloro-2,2,2-trifluoroacetophenone (130336-16-2) → 4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzonitrile (930110-37-5)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / toluene / 0.17 h / 20 °C / Inert atmosphere

2: dmap; acetic anhydride / 5,5-dimethyl-1,3-cyclohexadiene / 6 h / 80 °C / Inert atmosphere

3: sodium hydroxide; hydroxylamine hydrochloride / tetrahydrofuran; water / 6 h / 20 °C / Inert atmosphere

With dmap; hydroxylamine hydrochloride; acetic anhydride; triethylamine; sodium hydroxide; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; water; toluene;

upstream raw materials:

zinc(II) cyanide

3,5-dichloro-2,2,2-trifluoroacetophenone

3-methyl-4-cyanoacetophenone

Downstream raw materials:

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

A₁₄₄₃

N-[(1E)-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]-2-(pyridin-2-ylmethyl)-2,3-dihydro-1H-isoindol-1-ylinden]acetamide

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-isoxazol-3-yl]-2-(pyridin-2-ylmethyl)-2,3-dihydro-1H-isoindol-1-imine