1H-Pyrazole-4-carboxaldehyde, 5-amino-3-(4-bromophenyl)-1-phenyl-

Base Information

Chemical Name:1H-Pyrazole-4-carboxaldehyde, 5-amino-3-(4-bromophenyl)-1-phenyl-
CAS No.:873913-40-7
Molecular Formula:C16H12BrN3O
Molecular Weight:342.19000
Hs Code.:
DSSTox Substance ID:DTXSID10383199
Nikkaji Number:J2.255.167A
Wikidata:Q82174845

Synonyms:873913-40-7;5-Amino-3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde;1H-Pyrazole-4-carboxaldehyde, 5-amino-3-(4-bromophenyl)-1-phenyl-;DTXSID10383199;1-Phenyl-3-(4-bromophenyl)-5-amino-1H-pyrazole-4-carbaldehyde

Suppliers and Price of 1H-Pyrazole-4-carboxaldehyde, 5-amino-3-(4-bromophenyl)-1-phenyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1H-Pyrazole-4-carboxaldehyde, 5-amino-3-(4-bromophenyl)-1-phenyl-

Chemical Property:

PSA：60.91000
LogP:4.27770
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:341.01637
Heavy Atom Count:21
Complexity:353

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)Br)C=O)N

Technology Process of 1H-Pyrazole-4-carboxaldehyde, 5-amino-3-(4-bromophenyl)-1-phenyl-

There total 2 articles about 1H-Pyrazole-4-carboxaldehyde, 5-amino-3-(4-bromophenyl)-1-phenyl- 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: 70.0%

: N'-[3-(4-bromophenyl)-4-formyl-1-phenyl-1H-pyrazol-5-yl]-N,N-dimethylimidoformamide

: 873913-40-7
5-amino-3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

Guidance literature:: With sodium hydroxide; In ethanol; for 2h; Heating;
DOI:10.1002/jhet.5570420710

Reference yield:

: 201735-04-8
3-(4-bromophenyl)-1-phenyl-1H-pyrazole-5-amine

: 873913-40-7
5-amino-3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 76 percent / POCl₃ / 3.5 h / 65 - 70 °C

2: 70 percent / aq. NaOH / ethanol / 2 h / Heating

With sodium hydroxide; trichlorophosphate; In ethanol; 1: Vilsmeier-Haack formylation;
DOI:10.1002/jhet.5570420710