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

Base Information

• Chemical Name: Bicyclo[2.2.2]octane-1-carboxaMide, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-
• CAS No.: 719274-83-6
• Molecular Formula: C19 H21 F3 N4 O
• Molecular Weight: 378.397
• Hs Code.: 2933990090
• Mol file: 719274-83-6.mol

Synonyms:4-(4-Methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octane-1-carboxamide;Bicyclo[2.2.2]octane-1-carboxaMide, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-

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

Chemical Property:

• PSA: 74.79000
• LogP: 4.72790
• 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-carboxamide 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-carboxaMide, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-

There total 3 articles about Bicyclo[2.2.2]octane-1-carboxaMide, 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: 97.0%

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-carboxamide (719274-83-6)

Guidance literature:

methyl 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxylate; With water; lithium hydroxide; In methanol; at 60 ℃; for 18h;

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; ammonium chloride; triethylamine; In N,N-dimethyl-formamide; for 0.5h;

Reference yield:

4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxylic acid (935273-84-0) → 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxamide (719274-83-6)

Guidance literature:

4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxylic acid; With 1,1'-carbonyldiimidazole; In dichloromethane; at 20 ℃; for 2h;

With ammonia; In dichloromethane; water; for 18h;

Reference yield:

C20H22F3N3O2*ClH → 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxamide (719274-83-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydrogencarbonate / dichloromethane; water

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

2.2: pH 3

3.1: 1,1'-carbonyldiimidazole / dichloromethane / 2 h / 20 °C

3.2: 18 h

With potassium hydroxide; water; sodium hydrogencarbonate; 1,1'-carbonyldiimidazole; In methanol; dichloromethane; water;

upstream raw materials:

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

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

Downstream raw materials:

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