5-NITRO-1 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 5-NITRO-1 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
• CAS No.: 39846-84-9
• Molecular Formula: C6H7N3O4
• Molecular Weight: 185.139
• Mol file: 39846-84-9.mol

Synonyms:5-Nitro-1 H-Pyrazole-3-Carboxylic Acid Ethyl Ester;ethyl 5-nitro-1H-pyrazole-3-carboxylate;ethyl 3-nitro-1H-pyrazole-5-carboxylate;

Chemical Property of 5-NITRO-1 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• Melting Point: 148-149°
• Boiling Point: 386.9±22.0 °C(Predicted)
• PKA: 5.36±0.10(Predicted)
• PSA: 100.80000
• Density: 1.455±0.06 g/cm3(Predicted)
• LogP: 1.01780
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

Ethyl5-Nitro-1H-pyrazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5-NITRO-1 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER was used in the synthetic preparation of 5-N,N-Disubstituted 5-aminopyrazole-3-carboxylic acids, an highly potents and selective agonists of the G-Protein Coupled Receptor GPR109. 5-Nitro-3-pyrazolecarboxylic acid ethyl ester was used in the synthetic preparation of 5-N,N-Disubstituted 5-aminopyrazole-3-carboxylic acids, an highly potents and selective agonists of the G-Protein Coupled Receptor GPR109.

Technology Process of 5-NITRO-1 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

There total 5 articles about 5-NITRO-1 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER 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: 90.0%

acetyl chloride (75-36-5) + 5-nitropyrazole-3-carboxylic acid (198348-89-9) → 5-nitro-1H-pyrazole-3-carboxylic acid ethyl ester (39846-84-9)

Guidance literature:

In ethanol; at 0 - 20 ℃; for 2h;

Reference yield: 88.0%

ethanol (64-17-5) + 5-nitropyrazole-3-carboxylic acid (198348-89-9) → 5-nitro-1H-pyrazole-3-carboxylic acid ethyl ester (39846-84-9)

Guidance literature:

With acetyl chloride; Heating / reflux;

Reference yield: 88.0%

5-nitropyrazole-3-carboxylic acid (198348-89-9) → 5-nitro-1H-pyrazole-3-carboxylic acid ethyl ester (39846-84-9)

Guidance literature:

With acetyl chloride; at 80 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.bmcl.2009.05.108

upstream raw materials:

ethanol

5-nitropyrazole-3-carboxylic acid

acetyl chloride

Downstream raw materials:

C₁₅H₁₄BrF₃N₄O₄

5-amino-1H-pyrazole-3-carboxylic acid ethyl ester

Refernces

• 1、 -. "PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY". Page/Page column 57. . Retrieved 2021/10/22.
• 2、 Skinner, Philip J.,Webb, Peter J.,Sage, Carleton R,Dang, Huong T.,Pride, Cameron C.,Chen, Ruoping,Tamura, Susan Y.,Richman, Jeremy G.,Connolly, Daniel T.,Semple, Graeme. "5-N,N-Disubstituted 5-aminopyrazole-3-carboxylic acids are highly potent agonists of GPR109b". supporting information; experimental part. p. 4207 - 4209. Retrieved 2010/04/28.