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

Base Information

Chemical Name:1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-5-amine
CAS No.:77746-53-3
Molecular Formula:C15H12N4O2
Molecular Weight:280.286
Hs Code.:
DSSTox Substance ID:DTXSID50358205
Nikkaji Number:J2.727.458G
Wikidata:Q82138605

Synonyms:1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-5-amine;77746-53-3;DTXSID50358205;STK508281;AKOS005455141;SR-01000232727;SR-01000232727-1

Suppliers and Price of 1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-5-amine

Supply Marketing:

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

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

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:280.09602564
Heavy Atom Count:21
Complexity:359

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)[N+](=O)[O-]

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

There total 3 articles about 1-(4-nitrophenyl)-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: 53.0%

: 614-16-4
Benzoylacetonitrile

: 619-27-2
3-nitrophenylhydrazine

: 77746-53-3
5-amino-1-(4-nitrophenyl)-3-phenyl-1H-pyrazole

Guidance literature:: In ethanol; acetic acid; for 3h; Heating;

Reference yield:

: 614-16-4
Benzoylacetonitrile

: 100-16-3
4-nitrophenylhydrazone

: 77746-53-3
5-amino-1-(4-nitrophenyl)-3-phenyl-1H-pyrazole

Guidance literature:: Benzoylacetonitrile; With sulfuric acid; In tetrahydrofuran; at 17 - 19 ℃; for 0.0833333h;

4-nitrophenylhydrazone; With hydrazine hydrate; In tetrahydrofuran; for 68h; regioselective reaction; Reflux;
DOI:10.1039/c5cc02020d

Reference yield:

: 93-89-0,99341-95-4
benzoic acid ethyl ester

: 77746-53-3
5-amino-1-(4-nitrophenyl)-3-phenyl-1H-pyrazole

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium tert-butylate / tetrahydrofuran / 0.58 h / 17 - 19 °C

2.1: sulfuric acid / tetrahydrofuran / 0.08 h / 17 - 19 °C

2.2: 68 h / Reflux

With sulfuric acid; potassium tert-butylate; In tetrahydrofuran;
DOI:10.1039/c5cc02020d