4-{2-[4-(4-Cyanophenoxy)phenyl]-2-oxoethyl}-3-nitrobenzonitrile

Base Information

Chemical Name:4-{2-[4-(4-Cyanophenoxy)phenyl]-2-oxoethyl}-3-nitrobenzonitrile
CAS No.:90178-60-2
Molecular Formula:C₂₂H₁₃N₃O₄
Molecular Weight:383.363
Hs Code.:
DSSTox Substance ID:DTXSID60531087
Wikidata:Q82402671

Synonyms:90178-60-2;DTXSID60531087;4-{2-[4-(4-Cyanophenoxy)phenyl]-2-oxoethyl}-3-nitrobenzonitrile

Suppliers and Price of 4-{2-[4-(4-Cyanophenoxy)phenyl]-2-oxoethyl}-3-nitrobenzonitrile

Supply Marketing:

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

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Chemical Property of 4-{2-[4-(4-Cyanophenoxy)phenyl]-2-oxoethyl}-3-nitrobenzonitrile

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:383.09060590
Heavy Atom Count:29
Complexity:684

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)C(=O)CC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Technology Process of 4-{2-[4-(4-Cyanophenoxy)phenyl]-2-oxoethyl}-3-nitrobenzonitrile

There total 3 articles about 4-{2-[4-(4-Cyanophenoxy)phenyl]-2-oxoethyl}-3-nitrobenzonitrile 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: 8.0%

: 3096-81-9
4-phenoxybenzonitrile

: 90178-58-8
(4-Cyan-2-nitrophenyl)essigsaeure

: 90178-60-2
4'-Cyan-4-(4-cyanphenoxy)-2'-nitrodesoxybenzoin

Guidance literature:: With hydrogen fluoride; at 45 - 50 ℃; for 20h;
DOI:10.1002/jlac.198419840302

Reference yield:

: 5462-71-5
4-cyanophenylacetic acid

: 90178-60-2
4'-Cyan-4-(4-cyanphenoxy)-2'-nitrodesoxybenzoin

Guidance literature:: Multi-step reaction with 2 steps

1: 68 percent / conc. H₂SO₄, HNO₃ / 2 h / 5 - 10 °C

2: 8 percent / HF / 20 h / 45 - 50 °C

With sulfuric acid; hydrogen fluoride; nitric acid;
DOI:10.1002/jlac.198419840302

Reference yield:

: 876-31-3
4-(cyanomethyl)benzonitrile

: 90178-60-2
4'-Cyan-4-(4-cyanphenoxy)-2'-nitrodesoxybenzoin

Guidance literature:: Multi-step reaction with 3 steps

1: 46 percent / conc. HCl / 0.07 h / Heating

2: 68 percent / conc. H₂SO₄, HNO₃ / 2 h / 5 - 10 °C

3: 8 percent / HF / 20 h / 45 - 50 °C

With hydrogenchloride; sulfuric acid; hydrogen fluoride; nitric acid;
DOI:10.1002/jlac.198419840302