Ethyl2,5-dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-carboxylate

Base Information

• Chemical Name: Ethyl2,5-dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-carboxylate
• CAS No.: 67267-08-7
• Molecular Formula: C11H11N3O3
• Molecular Weight: 233.227
• Hs Code.: 2933990090
• Mol file: 67267-08-7.mol

Synonyms:Ethyl2,5-dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-carboxylate;Ethyl 2,5-dihydro-5-oxo-1-phenyl-1H-1,2,4-

Chemical Property of Ethyl2,5-dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-carboxylate

Chemical Property:

• Melting Point: 193-194 °C(Solv: ethanol (64-17-5))
• PKA: 5.53±0.20(Predicted)
• PSA: 76.98000
• Density: 1.34g/cm³
• LogP: 0.73730
• Storage Temp.: 2-8°C

Purity/Quality:

Ethyl5-oxo-1-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl2,5-dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-carboxylate

There total 7 articles about Ethyl2,5-dihydro-5-oxo-1-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: 64.0%

thiazoline-2,4-dione (2295-31-0) + ethyl (phenylhydrazono)chloroacetate (28663-68-5) → ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate (67267-08-7)

Guidance literature:

thiazoline-2,4-dione; With potassium hydroxide; In ethanol; for 1h; Reflux;

ethyl (phenylhydrazono)chloroacetate; In ethanol; for 1.5h; Reflux;

DOI:10.1055/s-0030-1260026

Reference yield: 62.0%

bis(trichloromethyl) carbonate (32315-10-9) + ethyl 2-amino-2-(phenylhydrazono)acetate (1105634-63-6,36999-43-6) → ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate (67267-08-7)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/acs.jmedchem.7b00457

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + ethyl α-amino-α-(phenylhydrazono)glyoxylate (36999-43-6) → ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate (67267-08-7)

Guidance literature:

In tetrahydrofuran; at 0 - 18 ℃; for 20h; Inert atmosphere;

upstream raw materials:

thiazoline-2,4-dione

ethyl (phenylhydrazono)chloroacetate

aniline

bis(trichloromethyl) carbonate