1-(p-Bromophenyl)-3,5-diphenylpyrazole

Base Information

• Chemical Name: 1-(p-Bromophenyl)-3,5-diphenylpyrazole
• CAS No.: 58954-05-5
• Molecular Formula: C21H15BrN2
• Molecular Weight: 375.267
• DSSTox Substance ID: DTXSID90405202
• Nikkaji Number: J3.547.656C
• Wikidata: Q82209636
• Mol file: 58954-05-5.mol

Synonyms:1-(p-bromophenyl)-3,5-diphenylpyrazole;58954-05-5;1(4-bromophenyl)-3,5-diphenyl-1H-pyrazol;SCHEMBL2816383;DTXSID90405202;IKUIPCJIWYKWDH-UHFFFAOYSA-N

Chemical Property of 1-(p-Bromophenyl)-3,5-diphenylpyrazole

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 374.04186
• Heavy Atom Count: 24
• Complexity: 381

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Technology Process of 1-(p-Bromophenyl)-3,5-diphenylpyrazole

There total 15 articles about 1-(p-Bromophenyl)-3,5-diphenylpyrazole 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: 95.0%

1-(4-bromo-phenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole (58954-04-4) → 1-(4-bromophenyl)-3,5-diphenyl-1H-pyrazole (58954-05-5)

Guidance literature:

With tert.-butylhydroperoxide; copper diacetate; In water; acetonitrile; at 20 ℃;

DOI:10.1080/00397911.2021.1885716

Reference yield: 90.0%

1,3-diphenylpropanedione (120-46-7,61346-73-4) + (4-bromophenyl)hydrazine (589-21-9) → 1-(4-bromophenyl)-3,5-diphenyl-1H-pyrazole (58954-05-5)

Guidance literature:

With titanium(IV) oxide; In neat (no solvent); at 60 ℃; Green chemistry;

Reference yield: 83.0%

(E)-1-(4-bromophenyl)-2-((E)-1,3-diphenylallylidene)hydrazine (1428978-94-2) → 1-(4-bromophenyl)-3,5-diphenyl-1H-pyrazole (58954-05-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; oxygen; copper diacetate; In dimethyl sulfoxide; at 100 ℃; for 12h; under 760.051 Torr;

DOI:10.1021/jo400162d

upstream raw materials:

(4-bromophenyl)hydrazine

1,3-diphenyl-propen-3-one

(E)-1-(4-bromophenyl)-2-((E)-1,3-diphenylallylidene)hydrazine

1,4-bromoiodobenzene

Downstream raw materials:

9-[4'-(3,5-diphenyl-1H-pyrazol-1-yl)-4,1':2',1:2,1'-quatelphenyl]-9H-carbazole

4,4'-bis(3,5-diphenyl-1-pyrazolyl)diphenyl