2-Phenyldiazene-1-carbonitrile

Base Information

• Chemical Name: 2-Phenyldiazene-1-carbonitrile
• CAS No.: 64661-86-5
• Molecular Formula: C7H5N3
• Molecular Weight: 131.137
• DSSTox Substance ID: DTXSID10502883
• Nikkaji Number: J95.563I
• Mol file: 64661-86-5.mol

Synonyms:2-Phenyldiazene-1-carbonitrile;cyanoazobenzene;(E)-Phenyldiazene-1-carbonitrile;Benzoldiazoniumcyanid;622-83-3;64661-86-5;SCHEMBL1902199;DTXSID10502883

Chemical Property of 2-Phenyldiazene-1-carbonitrile

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 131.048347172
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=NC#N

Technology Process of 2-Phenyldiazene-1-carbonitrile

There total 2 articles about 2-Phenyldiazene-1-carbonitrile 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: 15.0%

potassium cyanide (151-50-8) + benzenediazonium tetrafluoroborate (369-57-3) → benzenediazocyanide (64661-86-5)

Guidance literature:

With 18-crown-6 ether; In dichloromethane; for 18h; Ambient temperature;

DOI:10.1021/ja00366a030

Reference yield:

sodium cyanide (143-33-9,25596-52-5) + benzene diazonium chloride (100-34-5) → benzenediazocyanide (64661-86-5)

Guidance literature:

With diethyl ether; ethanol; Petroleum ether; Irradiation_.Reagens 4: Wasser; unter Lichtausschluss;

DOI:10.1039/jr9490000333

Reference yield: 82.0%

benzenediazocyanide (64661-86-5) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 2-Phenyl-3,6-dihydro-2H-pyridazine-1-carbonitrile (143262-42-4)

Guidance literature:

In dichloromethane;

DOI:10.1016/S0040-4020(01)89022-0

upstream raw materials:

sodium cyanide

benzene diazonium chloride

potassium cyanide

benzenediazonium tetrafluoroborate

Downstream raw materials:

3-Phenyl-2,3-diaza-bicyclo[2.2.1]hept-5-ene-2-carbonitrile

3-Phenyl-2,3-diaza-bicyclo[2.2.2]oct-5-ene-2-carbonitrile

2-Phenyl-3,6-dihydro-2H-pyridazine-1-carbonitrile

4,5-Dimethyl-2-phenyl-3,6-dihydro-2H-pyridazine-1-carbonitrile