Bicyclo[2.2.2]octane-1-carbonitrile, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-

Base Information

• Chemical Name: Bicyclo[2.2.2]octane-1-carbonitrile, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-
• CAS No.: 719274-84-7
• Molecular Formula: C19H19F3N4
• Molecular Weight: 360.382
• Hs Code.: 2933990090
• Mol file: 719274-84-7.mol

Synonyms:Bicyclo[2.2.2]octane-1-carbonitrile, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-

Chemical Property of Bicyclo[2.2.2]octane-1-carbonitrile, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-

Chemical Property:

• PSA: 54.50000
• LogP: 4.61648
• Storage Temp.: 2-8°C

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4-(4-Methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octane-1-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Bicyclo[2.2.2]octane-1-carbonitrile, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-

There total 5 articles about Bicyclo[2.2.2]octane-1-carbonitrile, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]- 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: 100.0%

4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxamide (719274-83-6) → 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carbonitrile (719274-84-7)

Guidance literature:

4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxamide; With triethylamine; trifluoroacetic anhydride; In dichloromethane; at 0 ℃; for 0.583333h;

With sodium hydrogencarbonate; In dichloromethane;

Reference yield:

1,3,5-trichloro-2,4,6-triazine (108-77-0) + 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxamide (719274-83-6) → 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carbonitrile (719274-84-7)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield:

methyl 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxylate (719274-90-5) → 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carbonitrile (719274-84-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium hydroxide; water / methanol / 18 h / 60 °C

1.2: pH 3

2.1: 1,1'-carbonyldiimidazole / dichloromethane / 2 h / 20 °C

2.2: 18 h

3.1: DMF (N,N-dimethyl-formamide) / 2 h / 20 °C

With potassium hydroxide; water; 1,1'-carbonyldiimidazole; In methanol; DMF (N,N-dimethyl-formamide); dichloromethane;

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxamide

methyl 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxylate

4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxylic acid

Downstream raw materials:

C₁₉H₂₂F₃N₅O

N'-hydroxy-4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboximidamide

[(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)methyl]amine