3,5-dibromo-1H-pyrazole

Base Information

• Chemical Name: 3,5-dibromo-1H-pyrazole
• CAS No.: 67460-86-0
• Molecular Formula: C3H2Br2N2
• Molecular Weight: 225.87
• Hs Code.: 2933199090
• European Community (EC) Number: 826-274-9
• Mol file: 67460-86-0.mol

Synonyms:3,5-dibromo-1H-pyrazole;67460-86-0;3,5-Dibromopyrazole;1H-Pyrazole, 3,5-dibromo-;MFCD00159645;dibromopyrazole;1H-Pyrazole,3,5-dibromo-;SCHEMBL175351;AMY19559;AKOS023566129;SB40449;AS-53940;SY059800;CS-0051603;EN300-117520;P17315

Chemical Property of 3,5-dibromo-1H-pyrazole

Chemical Property:

• Boiling Point: 321.8±22.0 °C(Predicted)
• PKA: 7.76±0.10(Predicted)
• PSA: 28.68000
• Density: 2.419±0.06 g/cm3(Predicted)
• LogP: 1.93470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 225.85642
• Heavy Atom Count: 7
• Complexity: 68

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dibromo-1H-pyrazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NN=C1Br)Br

Technology Process of 3,5-dibromo-1H-pyrazole

There total 3 articles about 3,5-dibromo-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: 98.0%

3,4,5-tribromo-1H-pyrazole (17635-44-8) → 3,5-dibromo-1H-pyrazole (67460-86-0)

Guidance literature:

With potassium iodide; sodium sulfite; In N,N-dimethyl acetamide; at 160 - 180 ℃; for 5h;

Reference yield:

6-(toluenesulfonyloxy)-2-azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester (1558037-97-0) → 3,5-dibromo-1H-pyrazole (67460-86-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 - -60 ℃; for 1.08333h;

Reference yield:

3,5-dibromo-1H-pyrazole-4-carboxylic acid (98026-81-4) → 3,5-dibromo-1H-pyrazole (67460-86-0)

Guidance literature:

upstream raw materials:

3,5-dibromo-1H-pyrazole-4-carboxylic acid

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

6-(toluenesulfonyloxy)-2-azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester

Downstream raw materials:

2-(3,5-dibromo-pyrazol-1-yl)-propionic acid

3,5-bibromo-1-methyl-1H-pyrazole