3-Amino-3-(4-methylphenyl)prop-2-enenitrile

Base Information

• Chemical Name: 3-Amino-3-(4-methylphenyl)prop-2-enenitrile
• CAS No.: 25354-55-6
• Molecular Formula: C₁₀H₁₀N₂
• Molecular Weight: 158.203
• DSSTox Substance ID: DTXSID10363315
• Mol file: 25354-55-6.mol

Synonyms:3-amino-3-(4-methylphenyl)prop-2-enenitrile;25354-55-6;DTXSID10363315

Chemical Property of 3-Amino-3-(4-methylphenyl)prop-2-enenitrile

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=CC#N)N

Technology Process of 3-Amino-3-(4-methylphenyl)prop-2-enenitrile

There total 2 articles about 3-Amino-3-(4-methylphenyl)prop-2-enenitrile 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: 50.0%

para-methylbenzonitrile (104-85-8) + acetonitrile (75-05-8,26809-02-9) → 3-amino-3-p-tolylacrylonitrile (17196-75-7,60375-52-2,25354-55-6)

Guidance literature:

para-methylbenzonitrile; acetonitrile; With potassium tert-butylate; In to\\; at 20 ℃;

With water; In diethyl ether; toluene;

DOI:10.1016/j.molcatb.2011.12.005

Reference yield:

→ 3-amino-3-p-tolylacrylonitrile (17196-75-7,60375-52-2,25354-55-6)

Guidance literature:

p-Tolunitril, CH3CN;

DOI:10.1021/ja01047a023

Reference yield: 71.0%

3-amino-3-p-tolylacrylonitrile (17196-75-7,60375-52-2,25354-55-6) + p-Sulfamidophenyldiazonium tetrafluoroborate → 4-(4-cyano-5-(p-tolyl)-2H-1,2,3-triazol-2-yl)benzenesulfonamide

Guidance literature:

With caesium carbonate; copper dichloride; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1021/acs.orglett.0c00006

upstream raw materials:

para-methylbenzonitrile

acetonitrile

Downstream raw materials:

3-oxo-2-phenylhydrazono-3-p-tolyl-propionitrile

p-tolueneacetonitrile

5-amino-3-(4-methylphenyl)-1H-pyrazole