ethyl 1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate

Base Information

• Chemical Name: ethyl 1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate
• CAS No.: 1245643-77-9
• Molecular Formula: C12H10F3N3O2
• Molecular Weight: 285.2219096
• Mol file: 1245643-77-9.mol

Synonyms:ethyl 1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate

Chemical Property of ethyl 1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate

Chemical Property:

• PSA: 57.01000
• LogP: 2.46280
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl1-(3-(Trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ethyl 1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate

There total 3 articles about ethyl 1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate 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: 55.0%

Ethyl isocyanoacetate (2999-46-4) + m-trifluoromethyldiazonium chloride (34648-94-7) → ethyl 1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate (1245643-77-9)

Guidance literature:

In ethanol; water; at 75 ℃;

DOI:10.1039/c5ob00245a

Reference yield:

3-(trifluoromethyl)-aniline hydrochloride (2646-97-1) → ethyl 1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate (1245643-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: tert.-butylnitrite / acetonitrile / 0.17 h / 20 °C

2: ethanol; water / 75 °C

With tert.-butylnitrite; In ethanol; water; acetonitrile;

DOI:10.1039/c5ob00245a

Reference yield:

ethyl N-formylglycinate (3154-51-6) → ethyl 1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylate (1245643-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: bis(trichloromethyl) carbonate; N-ethyl-N,N-diisopropylamine; dmap / dichloromethane / 0.33 h / 20 °C

2: ethanol; water / 75 °C

With dmap; bis(trichloromethyl) carbonate; N-ethyl-N,N-diisopropylamine; In ethanol; dichloromethane; water;

DOI:10.1039/c5ob00245a

upstream raw materials:

3-(trifluoromethyl)-aniline hydrochloride

ethyl N-formylglycinate

Ethyl isocyanoacetate

m-trifluoromethyldiazonium chloride