Benzonitrile, 4-(hydroxyamino)-

Base Information

• Chemical Name: Benzonitrile, 4-(hydroxyamino)-
• CAS No.: 24171-84-4
• Molecular Formula: C7H6N2O
• Molecular Weight: 134.137
• DSSTox Substance ID: DTXSID50467189
• Nikkaji Number: J405.677I
• Wikidata: Q82294000
• Mol file: 24171-84-4.mol

Synonyms:Benzonitrile, 4-(hydroxyamino)-;24171-84-4;4-Cyano-N-hydroxyaniline;4-hydroxylaminobenzonitrile;SCHEMBL7540955;DTXSID50467189

Chemical Property of Benzonitrile, 4-(hydroxyamino)-

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 134.048012819
• Heavy Atom Count: 10
• Complexity: 141

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)NO

Technology Process of Benzonitrile, 4-(hydroxyamino)-

There total 2 articles about Benzonitrile, 4-(hydroxyamino)- 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: 78.0%

4-nitrobenzonitrile (619-72-7) → N-(4-cyanophenyl)hydroxylamine (24171-84-4) + 4-Aminobenzonitrile (873-74-5)

Guidance literature:

With potassium fluoride; polymethylhydrosiloxane; palladium diacetate; In tetrahydrofuran; water; at 20 ℃; for 12h; Title compound not separated from byproducts;

DOI:10.1021/ol052120n

Reference yield:

→ N-(4-cyanophenyl)hydroxylamine (24171-84-4)

Guidance literature:

Reference yield: 99.0%

N-(4-cyanophenyl)hydroxylamine (24171-84-4) → 4-cyanonitrosobenzene (31125-07-2)

Guidance literature:

With tert-butylhypochlorite; In diethyl ether; at -78 - -20 ℃;

DOI:10.1021/jo990235x

upstream raw materials:

4-nitrobenzonitrile

Downstream raw materials:

1,2-bis(4-cyanophenyl)diazene oxide

α-phenyl-N-(4-cyanophenyl)nitrone

α-(4-(diethylamino)phenyl)-N-(4-cyanophenyl)nitrone

N-(4-cyanophenyl)acetohydroxamic acid

Refernces

• 1、 Ioannou, Dimitris I.,Gioftsidou, Dimitra K.,Tsina, Vasiliki E.,Kallitsakis, Michael G.,Hatzidimitriou, Antonios G.,Terzidis, Michael A.,Angaridis, Panagiotis A.,Lykakis, Ioannis N.. "Selective Reduction of Nitroarenes to Arylamines by the Cooperative Action of Methylhydrazine and a Tris(N-heterocyclic thioamidate) Cobalt(III) Complex". supporting information. p. 2895 - 2906. Retrieved 2021/02/27.
• 2、 Tyler, Jefferson H.,Nazari, S. Hadi,Patterson, Robert H.,Udumula, Venkatareddy,Smith, Stacey J.,Michaelis, David J.. "Synthesis of N-aryl and N-heteroaryl hydroxylamines via partial reduction of nitroarenes with soluble nanoparticle catalysts". supporting information. p. 82 - 86. Retrieved 2016/12/23.