3,3-Diphenylpropanenitrile

Base Information

• Chemical Name: 3,3-Diphenylpropanenitrile
• CAS No.: 2286-54-6
• Molecular Formula: C15H13N
• Molecular Weight: 207.275
• Hs Code.: 2926909090
• European Community (EC) Number: 218-926-0
• UNII: NVN7LFX3U6
• DSSTox Substance ID: DTXSID40177402
• Nikkaji Number: J213.164A
• Wikidata: Q72469334
• Mol file: 2286-54-6.mol

Synonyms:3,3-Diphenylpropanenitrile;2286-54-6;3,3-Diphenylpropionitrile;3,3-Diphenylpropiononitrile;diphenylpropionitrile;3,3-DIPHENYL PROPIONITRILE;EINECS 218-926-0;3,3-Diphenyl-propionitrile;Benzenepropanenitrile, beta-phenyl-;3,3-diphenylpropanitrile;ChemDiv3_000616;NVN7LFX3U6;2-Cyano-1,1-diphenylethane;3,3-Diphenylpropanenitrile #;beta-Phenylbenzenepropanenitrile;SCHEMBL3952853;DTXSID40177402;HMS1474L22;MFCD00129747;STL334490;Benzenepropanenitrile, .beta.-phenyl-;AKOS015889667;AM90192;NCGC00172687-01;AS-58716;CS-0156516;D2590;FT-0634180;D82111;EN300-1861458;SR-01000402803;Q-200335;SR-01000402803-1;BRD-K55260034-001-01-7

Chemical Property of 3,3-Diphenylpropanenitrile

Chemical Property:

• Vapor Pressure: 1.15E-05mmHg at 25°C
• Melting Point: 86 °C
• Refractive Index: 1.574
• Boiling Point: 369.885 °C at 760 mmHg
• Flash Point: 194.369 °C
• PSA: 23.79000
• Density: 1.058 g/cm³
• LogP: 3.73218
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 207.104799419
• Heavy Atom Count: 16
• Complexity: 219

Purity/Quality:

99.9% ^*data from raw suppliers

3,3-Diphenylpropiononitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC#N)C2=CC=CC=C2

Technology Process of 3,3-Diphenylpropanenitrile

There total 40 articles about 3,3-Diphenylpropanenitrile 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: 98.0%

[2-(hydroxymethyl)phenyl]dimethyl(phenyl)silane (853955-69-8) + cinnamic nitrile (1885-38-7) → 3,3-diphenyl-propionitrile (2286-54-6)

Guidance literature:

[Rh(OH)(cod)]2; In tetrahydrofuran; at 60 ℃; for 7h;

DOI:10.1021/ja071969r

Reference yield: 93.0%

cinnamic nitrile (1885-38-7) + phenyl trimethylsiloxane (2996-92-1,46143-12-8) → 3,3-diphenyl-propionitrile (2286-54-6)

Guidance literature:

With tetrakis(actonitrile)copper(I) hexafluorophosphate; water; di(tert-butyl)phosphinous acid-based palladium(II) complex; at 120 ℃; for 4h; microwave irradiation;

DOI:10.1021/ol071067v

Reference yield: 91.0%

cinnamonitrile (4360-47-8) + phenylboronic acid (98-80-6) → 3,3-diphenyl-propionitrile (2286-54-6)

Guidance literature:

With cyclo-octa-1,5-diene; In water; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c1gc15146k

upstream raw materials:

cinnamic nitrile

3,3-diphenylacrylonitrile

3,3-diphenylpropionamide

2,2-diphenyl ethanol

Downstream raw materials:

2-(2,2-diphenyl-ethyl)-4,5-dihydro-1H-imidazole

3,3-Diphenylpropionic acid

3-diphenylpropyl amine

bis-(3,3-diphenyl-propyl)-amine

Refernces

• 1、 Motokura, Ken,Hashiguchi, Kohei,Maeda, Kyogo,Nambo, Masayuki,Manaka, Yuichi,Chun, Wang-Jae. "Rh-catalyzed 1,4-addition reactions of arylboronic acids accelerated by co-immobilized tertiary amine in silica mesopores". . p. 1 - 9. Retrieved 2019/05/04.
• 2、 Marquez, Carlos,Corbet, Matthieu,Smolders, Simon,Marion, Philippe,De Vos, Dirk. "Double metal cyanides as heterogeneous Lewis acid catalysts for nitrile synthesis: Via acid-nitrile exchange reactions". supporting information. p. 12984 - 12987. Retrieved 2019/11/05.