3-(2-Phenyldiazenyl)-2-butenenitrile

Base Information

• Chemical Name: 3-(2-Phenyldiazenyl)-2-butenenitrile
• CAS No.: 538-54-5
• Molecular Formula: C₁₀H₉N₃
• Molecular Weight: 171.202
• DSSTox Substance ID: DTXSID701289175
• Mol file: 538-54-5.mol

Synonyms:DTXSID701289175;3-(2-Phenyldiazenyl)-2-butenenitrile;538-54-5

Chemical Property of 3-(2-Phenyldiazenyl)-2-butenenitrile

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.079647300
• Heavy Atom Count: 13
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC#N)N=NC1=CC=CC=C1

Technology Process of 3-(2-Phenyldiazenyl)-2-butenenitrile

There total 4 articles about 3-(2-Phenyldiazenyl)-2-butenenitrile 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:

3-phenylhydrazono-butyronitrile (42412-18-0) → 3-phenylazo-crotononitrile (538-54-5) + 3-(phenyl-trans-azo)-cis-crotononitrile (24514-98-5)

Guidance literature:

With ethanol; mercury(II) oxide; stereoisomer(ic) of mp: 109 degree;

DOI:10.1021/ja01569a049

Reference yield:

3-(phenyl-ONN-azoxy)-crotonic acid amide → 3-phenylazo-crotononitrile (538-54-5)

Guidance literature:

With chloroform; phosphorus trichloride; stereoisomer(ic) of mp: 109 degree;

DOI:10.1021/ja01569a049

Reference yield:

1-Phenyl-3-methyl-5-aminopyrazole (1131-18-6) → 3-phenylazo-crotononitrile (538-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O₂; aqueous HCl

2: PCl₃; CHCl₃

With hydrogenchloride; chloroform; dihydrogen peroxide; phosphorus trichloride;

DOI:10.1021/ja01569a049

upstream raw materials:

3-phenylhydrazono-butyronitrile

1-bromo-1-cyanopropan-2-on

phenylhydrazine

1-Phenyl-3-methyl-5-aminopyrazole