2-Ethyl-2-phenylglutaronitrile

Base Information Edit

Chemical Name:2-Ethyl-2-phenylglutaronitrile
CAS No.:74220-50-1
Molecular Formula:C13H14 N2
Molecular Weight:198.268
Hs Code.:
European Community (EC) Number:277-775-9
DSSTox Substance ID:DTXSID30995697
Nikkaji Number:J318.932E
Mol file:74220-50-1.mol

Synonyms:2-Ethyl-2-phenylglutaronitrile;74220-50-1;2-ethyl-2-phenylpentanedinitrile;EINECS 277-775-9;DTXSID30995697

Suppliers and Price of 2-Ethyl-2-phenylglutaronitrile

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 2-Ethyl-2-phenylglutaronitrile Edit

Chemical Property:

Vapor Pressure:5.78E-06mmHg at 25°C
Boiling Point:379.6°C at 760 mmHg
Flash Point:180.9°C
PSA：47.58000
Density:1.03g/cm³
LogP:3.16176
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:198.115698455
Heavy Atom Count:15
Complexity:284

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CCC#N)(C#N)C1=CC=CC=C1

Technology Process of 2-Ethyl-2-phenylglutaronitrile

There total 3 articles about 2-Ethyl-2-phenylglutaronitrile 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: 53.0%

: 769-68-6
2-phenylbutanenitrile

: 107-13-1,25014-41-9
acrylonitrile

: 74220-50-1
2-ethyl-2-phenylglutarodinitrile

Guidance literature:: With N-benzyl-trimethylammonium hydroxide; In 1,4-dioxane; methanol; for 15h; Heating;
DOI:10.1021/jm00158a007

Reference yield:

: 140-29-4
phenylacetonitrile

: 74220-50-1
2-ethyl-2-phenylglutarodinitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 73 percent / NaNH₂ / benzene; toluene / 1 h / 80 °C

2: 53 percent / trimethylbenzylammoniumhydroxide (Triton B) / dioxane; methanol / 15 h / Heating

With N-benzyl-trimethylammonium hydroxide; sodium amide; In 1,4-dioxane; methanol; toluene; benzene;
DOI:10.1021/jm00158a007