1-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 1-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde
• CAS No.: 294877-41-1
• Molecular Formula: C₁₀H₇BrN₂O
• Molecular Weight: 251.082
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID90356164
• Wikidata: Q82135378
• Mol file: 294877-41-1.mol

Synonyms:1-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde;294877-41-1;1-(4-bromophenyl)pyrazole-4-carbaldehyde;1-(4-Bromo-phenyl)-1H-pyrazole-4-carbaldehyde;SCHEMBL18586366;DTXSID90356164;MFCD03426979;AKOS000187505;AS-5827;CS-0106627;EN300-44120;D76659;J-017544;Z317041784;1-(4-Bromophenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR

Chemical Property of 1-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Melting Point: 130-133 °C
• Boiling Point: 356.5±22.0 °C(Predicted)
• PKA: -2.85±0.10(Predicted)
• PSA: 34.89000
• Density: 1.55±0.1 g/cm3(Predicted)
• LogP: 2.44730
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.97418
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Bromophenyl)-1H-pyrazole-4-carbaldehyde Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C=C(C=N2)C=O)Br

Technology Process of 1-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde

There total 7 articles about 1-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde 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: 86.0%

sodium carbonate (497-19-8) + 1-(4-bromophenyl)-1H-pyrazole (13788-92-6) → 1-(4-bromophenyl)-1H-pyrazole-4-carboxyaldehyde (294877-41-1)

Guidance literature:

1-(4-bromophenyl)-1H-pyrazole; With trichlorophosphate; In N,N-dimethyl-formamide; at 0 - 110 ℃;

sodium carbonate; In water; N,N-dimethyl-formamide; for 0.5h;

DOI:10.1590/s0103-50532011000200022

Reference yield: 82.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1-(4-bromophenyl)-1H-pyrazole (13788-92-6) → 1-(4-bromophenyl)-1H-pyrazole-4-carboxyaldehyde (294877-41-1)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; In N,N-dimethyl-formamide; at 0 ℃; for 0.0833333h;

1-(4-bromophenyl)-1H-pyrazole; In N,N-dimethyl-formamide; at 100 ℃; for 8h;

Reference yield: 79.3%

hexamethylenetetramine (100-97-0) + 1-(4-bromophenyl)-1H-pyrazole (13788-92-6) → 1-(4-bromophenyl)-1H-pyrazole-4-carboxyaldehyde (294877-41-1)

Guidance literature:

With trifluoroacetic acid; for 12h; chemoselective reaction; Reflux;

DOI:10.1080/00397911.2012.657764

upstream raw materials:

sodium carbonate

1-(4-bromophenyl)-1H-pyrazole

hexamethylenetetramine

(4-bromophenyl)hydrazine

Downstream raw materials:

methyl 1-(4-bromophenyl)-1H-pyrazole-4-carboxylate