ethyl 1,7-dihydro-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Base Information

• Chemical Name: ethyl 1,7-dihydro-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• CAS No.: 89977-78-6
• Molecular Formula: C8H8 N4 O3
• Molecular Weight: 208.177
• Mol file: 89977-78-6.mol

Synonyms:s-Triazolo[1,5-a]pyrimidine-6-carboxylic acid,4,7-dihydro-7-oxo-, ethyl ester (6CI,7CI); NSC 172641

Chemical Property of ethyl 1,7-dihydro-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Chemical Property:

• Vapor Pressure: 0.000356mmHg at 25°C
• Boiling Point: 318.6°Cat760mmHg
• Flash Point: 146.5°C
• PSA: 89.35000
• Density: 1.6g/cm³
• LogP: -0.40570

Purity/Quality:

99% ^*data from raw suppliers

Ethyl7-hydroxy[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ethyl 1,7-dihydro-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

There total 4 articles about ethyl 1,7-dihydro-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine-6-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: 76.0%

3-amino-1,2,4-triazole (61-82-5) + diethyl 2-ethoxymethylenemalonate (87-13-8) → ethyl 4,7-dihydro-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (89977-78-6)

Guidance literature:

With acetic acid; at 120 ℃; for 3h;

DOI:10.1016/j.ejmech.2016.02.032

Reference yield:

3(5)-amino-1,2,4-triazole (61-82-5) + diethyl 2-ethoxymethylenemalonate (87-13-8) → ethyl 4,7-dihydro-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (89977-78-6)

Guidance literature:

DOI:10.1021/jo01088a014

Reference yield:

4H-1,2,4-triazol-3-amine (61-82-5,155-25-9,64598-23-8,65312-61-0,6051-75-8) + diethyl 2-ethoxymethylenemalonate (87-13-8) → ethyl 4,7-dihydro-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (89977-78-6)

Guidance literature:

With acetic acid; for 3h; Reflux;

DOI:10.1021/jm301527r

upstream raw materials:

3⁽⁵⁾-amino-1,2,4-triazole

diethyl 2-ethoxymethylenemalonate

4H-1,2,4-triazol-3-amine

3-amino-1,2,4-triazole

Downstream raw materials:

C₁₇H₂₅N₅O₂

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