Ethyl 5-oxo-5H-pyrazole-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-oxo-5H-pyrazole-3-carboxylate
• CAS No.: 58607-90-2
• Molecular Formula: C6H8 N2 O3
• Molecular Weight: 154.12344
• Hs Code.: 2933199090
• Mol file: 58607-90-2.mol

Synonyms:2-Pyrazoline-3-carboxylicacid, 5-oxo-, ethyl ester (6CI,7CI); NSC 14668

Chemical Property of Ethyl 5-oxo-5H-pyrazole-3-carboxylate

Chemical Property:

• Melting Point: 178 °C
• Boiling Point: °Cat760mmHg
• PKA: 11.84±0.40(Predicted)
• Flash Point: °C
• PSA: 68.09000
• Density: 1.41g/cm³
• LogP: -0.70300
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

ETHYL 5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl 5-oxo-5H-pyrazole-3-carboxylate

There total 2 articles about Ethyl 5-oxo-5H-pyrazole-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: 70.0%

diethyl oxaloacetate (108-56-5) → 5-oxo-2-pyrazoline-3-carboxylic acid,ethyl ester (58607-90-2)

Guidance literature:

With hydrazine hydrate; In ethanol; for 0.5h; Heating;

DOI:10.1021/jo00341a007

Reference yield:

→ 5-oxo-2-pyrazoline-3-carboxylic acid,ethyl ester (58607-90-2)

Guidance literature:

Diaethyloxaloacetat(1) m. Hydrazinhydrat/EtOH (S.210);

DOI:10.1246/bcsj.52.208

Reference yield: 2.0%

1-benzyl-6-chloro-1H-benzo[d][1,3]oxazine-2,4-dione (57384-84-6) + 5-oxo-2-pyrazoline-3-carboxylic acid,ethyl ester (58607-90-2) → 4-Benzyl-7-chloro-9-oxo-4,9-dihydro-pyrazolo[5,1-b]quinazoline-2-carboxylic acid ethyl ester (77556-55-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; 1) 18 h, from -10 deg C gradually to room temperature 2) 1 h, 90 deg C;

upstream raw materials:

diethyl oxaloacetate

Downstream raw materials:

4-Benzyl-7-chloro-9-oxo-4,9-dihydro-pyrazolo[5,1-b]quinazoline-2-carboxylic acid ethyl ester

4,9-dihydro-4,7-dimethyl-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid, ethyl ester

Pyrazolon-3-carbonsaeure

C₁₈H₁₈N₈O₆

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