2,2-Diphenylpropionitrile

Base Information

• Chemical Name: 2,2-Diphenylpropionitrile
• CAS No.: 5558-67-8
• Molecular Formula: C15H13N
• Molecular Weight: 207.275
• Hs Code.: 29269090
• European Community (EC) Number: 226-925-1
• NSC Number: 62703
• DSSTox Substance ID: DTXSID00204127
• Nikkaji Number: J225.017I
• Wikidata: Q72469332
• Mol file: 5558-67-8.mol

Synonyms:2,2-Diphenylpropionitrile;5558-67-8;2,2-Diphenylpropanenitrile;1,1-Diphenylethyl Cyanide;2,2-Diphenylpropiononitrile;2,2-diphenyl propionitrile;EINECS 226-925-1;.alpha.,.alpha.-Diphenylpropionitrile;NSC62703;2,2-diphenyl-propionitrile;NCIOpen2_002658;2,2-Diphenylpropanenitrile #;SCHEMBL1021158;DTXSID00204127;2,2-DIPHENYLETHYL CYANIDE;2,2-Diphenylpropionitrile, 97%;HMS1741N18;a-Methyl-a-phenylbenzeneacetonitrile;MFCD00001846;NSC 62703;NSC-62703;AKOS001160733;AS-58799;N-2,4-DNP-DL-METHIONINESULFOXIDE;CS-0272225;D2534;FT-0609296;Benzeneacetonitrile, alpha-methyl-alpha-phenyl-;D90077;Benzeneacetonitrile, .alpha.-methyl-.alpha.-phenyl-;J-506837;Z108566762

Chemical Property of 2,2-Diphenylpropionitrile

Chemical Property:

• Appearance/Colour: clear slightly yellow to yellow liquid
• Vapor Pressure: 0.000246mmHg at 25°C
• Refractive Index: n20/D 1.572(lit.)
• Boiling Point: 324.4 °C at 760 mmHg
• Flash Point: 157.5 °C
• PSA: 23.79000
• Density: 1.057 g/cm³
• LogP: 3.51618
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 207.104799419
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2-Diphenylpropionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36-36/37-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,2-Diphenylpropionitrile

There total 24 articles about 2,2-Diphenylpropionitrile 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%

Diphenylacetonitrile (86-29-3) + methyl iodide (74-88-4) → 2,2-diphenylpropionitrile (5558-67-8)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 85 ℃; for 2h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201600305

Reference yield: 97.0%

1,1-Diphenylethylene (530-48-3) + 1,4-dimethylcyclohexa-2,5-diene-1-carbonitrile → 2,2-diphenylpropionitrile (5558-67-8)

Guidance literature:

With boron trichloride; In dichloromethane; at 120 ℃; for 16h; Reagent/catalyst; Solvent; Catalytic behavior; Sealed tube;

DOI:10.1002/anie.201813853

Reference yield: 73.0%

Diphenylacetonitrile (86-29-3) + methyl iodide (74-88-4) → 1,2,2-triphenylethan-1-one (1733-63-7) + 2,2-diphenylpropionitrile (5558-67-8)

Guidance literature:

With sodium amide; In ammonia; at -70 ℃; for 0.5h; Yields of byproduct given;

DOI:10.1016/S0040-4020(98)00472-4

upstream raw materials:

1,1-Diphenylethylene

hydrogen cyanide

Diphenylacetonitrile

1-phenylethyl cyanide

Downstream raw materials:

1,1'-ethylidenebis-benzene

1,1-diphenylacetone

1,2-diphenylpropan-1-one

2-(1,1-diphenyl-ethyl)-5-methyl-4-methylsulfanyl-oxazole

Refernces

• 1、 -. "SUMO INHIBITOR COMPOUNDS AND USES THEREOF". Paragraph 0204. . Retrieved 2020/10/09.
• 2、 Alazet, Sébastien,West, Michael S.,Patel, Purvish,Rousseaux, Sophie A. L.. "Synthesis of Nitrile-Bearing Quaternary Centers by an Equilibrium-Driven Transnitrilation and Anion-Relay Strategy". supporting information. p. 10300 - 10304. Retrieved 2019/07/04.