3-(2,6-Dioxocyclohexyl)propanenitrile

Base Information

Chemical Name:3-(2,6-Dioxocyclohexyl)propanenitrile
CAS No.:1874-85-7
Molecular Formula:C20H21 N O4
Molecular Weight:165.192
Hs Code.:
NSC Number:160503
UNII:BA2DK6L7WE
DSSTox Substance ID:DTXSID60172055
Nikkaji Number:J87.291A
Wikidata:Q83042201
Mol file:1874-85-7.mol

Synonyms:3-(2,6-Dioxocyclohexyl)propanenitrile;1874-85-7;NSC160503;NSC 160503;NSC-160503;2,6-Dioxocyclohexanepropanenitrile;Maybridge3_000985;BA2DK6L7WE;SCHEMBL7611199;DTXSID60172055;HMS1433M17;AKOS006274348;Cyclohexanepropanenitrile, 2,6-dioxo-;IDI1_012372

Suppliers and Price of 3-(2,6-Dioxocyclohexyl)propanenitrile

Supply Marketing:

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 7 raw suppliers

Chemical Property of 3-(2,6-Dioxocyclohexyl)propanenitrile

Chemical Property:

Vapor Pressure:8.92E-06mmHg at 25°C
Refractive Index:1.48
Boiling Point:373.5°Cat760mmHg
Flash Point:179.7°C
PSA：57.93000
Density:1.124g/cm³
LogP:1.22848
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:165.078978594
Heavy Atom Count:12
Complexity:233

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)C(C(=O)C1)CCC#N

Technology Process of 3-(2,6-Dioxocyclohexyl)propanenitrile

There total 2 articles about 3-(2,6-Dioxocyclohexyl)propanenitrile 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:

: 504-02-9
1,3-cylohexanedione

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

: 1874-85-7
2-(2-Cyan-ethyl)-cyclohexan-1,3-dion

Guidance literature:: With sodium hydroxide;

Reference yield:

: 1874-85-7
2-(2-Cyan-ethyl)-cyclohexan-1,3-dion

Guidance literature:: Dihydroresorcin, Acrylonitril/sd. wss. NaOH/Dioxan (2.5h);

Reference yield: 82.0%

: 1874-85-7
2-(2-Cyan-ethyl)-cyclohexan-1,3-dion

: 104846-76-6
(±)-methyl (1-phenylprop-2-yn-1-yl) carbonate

: (2RS,3aSR)-3a-(2-cyanoethyl)-3-methylene-2-phenyl-3,3a,5,6-tetrahydrobenzofuran-4(2H)-one

Guidance literature:: With 1,4-di(diphenylphosphino)-butane; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In dimethyl sulfoxide; at 120 ℃;
DOI:10.1016/j.tetlet.2007.12.123