2H-Tetrazole, 5-(4-nitrophenyl)-2-phenyl-

Base Information

Chemical Name:2H-Tetrazole, 5-(4-nitrophenyl)-2-phenyl-
CAS No.:50626-23-8
Molecular Formula:C13H9N5O2
Molecular Weight:267.247
Hs Code.:
DSSTox Substance ID:DTXSID40483494
Mol file:50626-23-8.mol

Synonyms:2H-Tetrazole, 5-(4-nitrophenyl)-2-phenyl-;50626-23-8;DTXSID40483494

Suppliers and Price of 2H-Tetrazole, 5-(4-nitrophenyl)-2-phenyl-

Supply Marketing:

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

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Chemical Property of 2H-Tetrazole, 5-(4-nitrophenyl)-2-phenyl-

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:267.07562455
Heavy Atom Count:20
Complexity:334

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2N=C(N=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 2H-Tetrazole, 5-(4-nitrophenyl)-2-phenyl-

There total 7 articles about 2H-Tetrazole, 5-(4-nitrophenyl)-2-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: 67.0%

: 16687-60-8
5-(4-nitrophenyl)-2H-tetrazole

: 94-36-0
dibenzoyl peroxide

: 50626-23-8
5-(4-nitrophenyl)-2-phenyl-2H-tetrazole

Guidance literature:: With tetra-(n-butyl)ammonium iodide; In acetonitrile; at 100 ℃; for 6h; regioselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.joc.9b02875

Reference yield: 15.0%

: 13707-46-5
N-tosyl-4-nitrobenzaldimine

: 62-53-3
aniline

: 50626-23-8
5-(4-nitrophenyl)-2-phenyl-2H-tetrazole

Guidance literature:: aniline; With hydrogenchloride; sodium nitrite; In ethanol; water; at -5 ℃;

N-tosyl-4-nitrobenzaldimine; In ethanol;

With pyridine; In ethanol; at -15 - -5 ℃; for 2h;
DOI:10.1002/ejoc.201701225

Reference yield:

: 636-97-5
N-amino-(4-nitrophenyl)carboxamide

: 50626-23-8
5-(4-nitrophenyl)-2-phenyl-2H-tetrazole

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine / Ambient temperature

2: SOCl₂ / 8 h / Heating

3: 2) K₂CO₃ / 1) THF, reflux; 2) room temp., 24 h

With thionyl chloride; potassium carbonate; In pyridine;