4,5-dibroMo-3-nitro-1H-pyrazole

Base Information

• Chemical Name: 4,5-dibroMo-3-nitro-1H-pyrazole
• CAS No.: 104599-37-3
• Molecular Formula: C3HBr2N3O2
• Molecular Weight: 270.86700
• Hs Code.: 2933199090
• Mol file: 104599-37-3.mol

Synonyms:3,4-dibromo-5-nitro-2H-pyrazole;3,4-Dibromo-5-nitro-1H-pyrazole;QC-759;

Chemical Property of 4,5-dibroMo-3-nitro-1H-pyrazole

Chemical Property:

• Boiling Point: 365.6±37.0 °C(Predicted)
• PKA: 3.91±0.50(Predicted)
• PSA: 74.50000
• Density: 2.419
• LogP: 2.36610
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

3,4-Dibromo-5-nitro-1H-pyrazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,5-dibroMo-3-nitro-1H-pyrazole

There total 3 articles about 4,5-dibroMo-3-nitro-1H-pyrazole 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: 67.6%

3,5-dimethyl-1H-pyrazole (67-51-6) + 3,4,5-tribromo-1H-pyrazole (17635-44-8) → 3,4-dibromo-5-nitro-1H-pyrazole (104599-37-3)

Guidance literature:

3,4,5-tribromo-1H-pyrazole; With nitric acid; acetic anhydride; acetic acid; at 10 - 20 ℃; for 3.33333h;

3,5-dimethyl-1H-pyrazole; In toluene; for 0.333333h; Reflux;

Reference yield:

5-nitro-1H-pyrazole (26621-44-3) → 3,4-dibromo-5-nitro-1H-pyrazole (104599-37-3)

Guidance literature:

With sodium hydroxide; bromine; In water; for 3h;

DOI:10.1021/jo00374a029

Reference yield:

1-nitro-3,4,5-tribromo-1H-pyrazole (104599-40-8) → 3,4-dibromo-5-nitro-1H-pyrazole (104599-37-3)

Guidance literature:

With 3,5-dimethyl-1H-pyrazole; In toluene; for 0.333333h; Inert atmosphere; Reflux;

DOI:10.1021/jm901525b

upstream raw materials:

5-nitro-1H-pyrazole

1-nitro-3,4,5-tribromo-1H-pyrazole

3,5-dimethyl-1H-pyrazole

3,4,5-tribromo-1H-pyrazole

Downstream raw materials:

5-amino-3-bromo-1H-pyrazole

Refernces

• 1、 Moy, Franklin J.,Lee, Arthur,Gavrin, Lori Krim,Xu, Zhang Bao,Sievers, Annette,Kieras, Elizabeth,Stochaj, Wayne,Mosyak, Lidia,McKew, John,Tsao, Désirée H. H.. "Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance". experimental part. p. 1238 - 1249. Retrieved 2010/07/18.