1-(4-Bromophenyl)-3-phenyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1-(4-Bromophenyl)-3-phenyl-1H-pyrazol-5-amine
• CAS No.: 72411-50-8
• Molecular Formula: C15H12 Br N3
• Molecular Weight: 314.184
• Hs Code.: 2933199090
• European Community (EC) Number: 684-837-2
• DSSTox Substance ID: DTXSID90404255
• Nikkaji Number: J3.141.526H
• Wikidata: Q82208348
• Mol file: 72411-50-8.mol

Synonyms:72411-50-8;1-(4-BROMOPHENYL)-3-PHENYL-1H-PYRAZOL-5-AMINE;2-(4-bromophenyl)-5-phenylpyrazol-3-amine;2-(4-BROMO-PHENYL)-5-PHENYL-2H-PYRAZOL-3-YLAMINE;5-Amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole;2-(4-bromophenyl)-5-phenyl-pyrazol-3-amine;DTXSID90404255;MFCD04122799;AKOS009476539;AB20791;BS-42342;2-(4-bromophenyl)-5-phenyl-3-pyrazolamine;CS-0363622;FT-0698895;A837519;5-Amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole, 97%

Chemical Property of 1-(4-Bromophenyl)-3-phenyl-1H-pyrazol-5-amine

Chemical Property:

• Melting Point: 164-168 °C
• Boiling Point: 489.6±40.0 °C(Predicted)
• PKA: 2.50±0.10(Predicted)
• PSA: 43.84000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 4.46520
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 313.02146
• Heavy Atom Count: 19
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)Br

Technology Process of 1-(4-Bromophenyl)-3-phenyl-1H-pyrazol-5-amine

There total 2 articles about 1-(4-Bromophenyl)-3-phenyl-1H-pyrazol-5-amine 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:

Benzoylacetonitrile (614-16-4) + (4-bromophenyl)hydrazine (589-21-9) → 5-amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole (72411-50-8)

Guidance literature:

With acetic acid; for 5h; Reflux;

DOI:10.1016/j.tetlet.2021.153253

Reference yield:

→ 5-amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole (72411-50-8)

Guidance literature:

Benzoylacetonitril 1, entspr. Arylhydrazin;

Reference yield: 95.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + 5-amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole (72411-50-8) → 1-(4-bromophenyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine (1400634-64-1)

Guidance literature:

With phosphorus tribromide; at 50 - 60 ℃; Inert atmosphere;

DOI:10.1021/jo301463m

upstream raw materials:

Benzoylacetonitrile

(4-bromophenyl)hydrazine

Downstream raw materials:

N′-[1-(4-bromophenyl)-4-formyl-3-phenyl-1H-pyrazol-5-yl]-N,N-dimethylmethanimidamide

C₂₇H₁₇BrN₄O₃

5'-bromo-1-(4-bromophenyl)-1'-ethyl-3-phenyl-7,8-dihydrospiro[furo[3,4-b]pyrazolo[4,3-e]pyridine-4,3'-indoline]-2',5(1H)-dione

1'-benzyl-1-(4-bromophenyl)-1,11-dihydro-3-phenylspiro[benzo[g]pyrazolo[3,4-b]quinoline-4,3'-indole]-2',5,10(1'H)-trione