1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester

Base Information

• Chemical Name: 1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester
• CAS No.: 1353100-91-0
• Molecular Formula: C6H7BrN2O2
• Molecular Weight: 219.038
• Hs Code.: 2933199090
• Mol file: 1353100-91-0.mol

Synonyms:1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester;3-Bromo-4-(ethoxycarbonyl)-1H-pyrazole

Chemical Property of 1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester

Chemical Property:

• Boiling Point: 331.1±22.0 °C(Predicted)
• PKA: 8.58±0.50(Predicted)
• PSA: 54.98000
• Density: 1.664±0.06 g/cm3(Predicted)
• LogP: 1.34890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl3-Bromo-1H-pyrazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 3-Bromo-1H-pyrazole-4-carboxylate can be used as plasma kallikrein inhibitors.

Technology Process of 1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester

There total 2 articles about 1-H-pyrazole-4-carboxylic acid,3-broMo,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: 100.0%

3-amino-4-pyrazolecarboxylic acid ethyl ester (6994-25-8,103259-35-4,19750-02-8) → ethyl 3-bromo-1H-pyrazole-4-carboxylate (1353100-91-0)

Guidance literature:

With copper(ll) bromide; isopentyl nitrite; In acetonitrile; at 50 ℃;

Reference yield:

ethyl 5-amino-1H-pyrazole-4-carboxylate (1260243-04-6,6994-25-8) → ethyl 5-bromo-1H-pyrazole-4-carboxylate (1353100-91-0)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 20 - 70 ℃; for 3h; Inert atmosphere;

Reference yield: 37.0%

ethyl 3-bromo-1H-pyrazole-4-carboxylate (1353100-91-0) + p-methoxybenzyl chloride (824-94-2) → ethyl 3-bromo-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate (1355249-61-4)

Guidance literature:

With potassium carbonate; In acetonitrile; for 18h; Inert atmosphere; Reflux;

upstream raw materials:

ethyl 5-amino-1H-pyrazole-4-carboxylate

3-amino-4-pyrazolecarboxylic acid ethyl ester

Downstream raw materials:

ethyl 3-bromo-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate

C₁₆H₁₈N₂O₃

5-bromo-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

ethyl 3-bromo-1-methyl-1H-pyrazole-4-carboxylate

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