3,3-Diphenylacrylonitrile

Base Information

• Chemical Name: 3,3-Diphenylacrylonitrile
• CAS No.: 3531-24-6
• Molecular Formula: C15H11N
• Molecular Weight: 205.259
• Hs Code.: 2926909090
• European Community (EC) Number: 620-626-3
• NSC Number: 120378
• DSSTox Substance ID: DTXSID40298040
• Nikkaji Number: J56.245I
• Mol file: 3531-24-6.mol

Synonyms:3,3-Diphenylacrylonitrile;3531-24-6;B-PHENYLCINNAMONITRILE;3,3-diphenylprop-2-enenitrile;2-Propenenitrile, 3,3-diphenyl-;beta-Phenylcinnamonitrile;beta-Diphenylacrylonitrile;3,3-diphenyl acrylonitrile;.beta.,.beta.-Diphenylacrylonitrile;Acrylonitrile, 3,3-diphenyl-;NSC120378;3,3-(Diphenyl)acrylonitrile;2-Propenenitrile,3-diphenyl-;SCHEMBL247446;DTXSID40298040;MFCD00045630;AKOS005146406;DS-1590;NSC-120378;AM20040265;CS-0316092;D4873;FT-0634891;A822729

Chemical Property of 3,3-Diphenylacrylonitrile

Chemical Property:

• Vapor Pressure: 7.78E-05mmHg at 25°C
• Melting Point: 43.0 to 47.0 °C
• Refractive Index: 1.6
• Boiling Point: 341.9 °C at 760 mmHg
• Flash Point: 161.4 °C
• PSA: 23.79000
• Density: 1.078 g/cm³
• LogP: 3.64188
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 205.089149355
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

β-Diphenylacrylonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=CC#N)C2=CC=CC=C2
• Uses: β-Diphenylacrylonitrile is a reagent in the preparation of N-diarylpropenyl and N-diarylpropyl amides as ligands for the human melatonin receptors MT1 and MT2.

Technology Process of 3,3-Diphenylacrylonitrile

There total 55 articles about 3,3-Diphenylacrylonitrile 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: 99.0%

1,1-diphenyl-3-(trimethylsilyl)prop-2-yn-1-ol (73502-43-9) → 3,3-diphenylacrylonitrile (3531-24-6)

Guidance literature:

With iron(III) chloride; toluene-4-sulfonic acid hydrazide; In nitromethane; at 20 - 60 ℃; for 2.25h;

DOI:10.1002/chem.201200763

Reference yield: 95.0%

benzophenone (119-61-9) + diethyl 1-cyanomethylphosphonate (2537-48-6) → 3,3-diphenylacrylonitrile (3531-24-6)

Guidance literature:

With sodium ethanolate; In ethanol; 1.) 1 h, room temp., 2.) 1 h, 60 deg C;

DOI:10.1248/cpb.28.1394

Reference yield: 92.0%

phenylmagnesium bromide (100-58-3) + (Z)-3-(4-Methoxy-phenylselanyl)-3-phenyl-acrylonitrile → 3,3-diphenylacrylonitrile (3531-24-6)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at 10 ℃; for 2h;

DOI:10.1080/00397919608003772

upstream raw materials:

3,3-diphenylacrylamide

2-bromo-2-cyano-3,3-diphenyl-propionic acid ethyl ester

3-hydroxy-3,3-diphenylpropanenitrile

benzophenone

Downstream raw materials:

1-cyano-2,2-diphenylcyclopropane

2-(2,2-diphenylvinyl)-5,5-dimethyl-1,3,2-dioxaborinane

2-(²H)-3,3-diphenylacrylonitrile

2-chloro-3,3-diphenylacrylonitrile