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

Base Information

• Chemical Name: Bicyclo[2.2.2]octane-1-carboxylic acid, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-
• CAS No.: 935273-84-0
• Molecular Formula: C₁₉H₂₀F₃N₃O₂
• Molecular Weight: 379.382
• Mol file: 935273-84-0.mol

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

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

Chemical Property:

• Boiling Point: 543.5±60.0 °C(Predicted)
• PKA: 4.77±0.10(Predicted)
• Density: 1.44±0.1 g/cm3(Predicted)
• 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-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

There total 2 articles about Bicyclo[2.2.2]octane-1-carboxylic acid, 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: 76.0%

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-carboxylic acid (935273-84-0)

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 potassium hydroxide; water; In methanol; at 60 ℃; for 18h;

With hydrogenchloride; In water; pH=3;

Reference yield:

C20H22F3N3O2*ClH → 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)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydrogencarbonate / dichloromethane; water

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

2.2: pH 3

With potassium hydroxide; water; sodium hydrogencarbonate; In methanol; dichloromethane; water;

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;

upstream raw materials:

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-carboxamide

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

C₂₁H₂₆F₃N₃O

C₂₅H₂₅ClF₃N₃O