3-(2-Oxocyclopentyl)propanenitrile

Base Information

Chemical Name:3-(2-Oxocyclopentyl)propanenitrile
CAS No.:4594-77-8
Molecular Formula:C₈H₁₁NO
Molecular Weight:137.181
Hs Code.:
European Community (EC) Number:224-990-0
DSSTox Substance ID:DTXSID80963467
Nikkaji Number:J297.839C
Mol file:4594-77-8.mol

Synonyms:3-(2-oxocyclopentyl)propanenitrile;4594-77-8;2-Oxocyclopentanepropiononitrile;EINECS 224-990-0;R-2-Aminoheptanoicacid;2-oxocyclo-pentanepropionitrile;2-Oxocyclopentanepropanenitrile;SCHEMBL5800590;2-(2-cyanoethyl)-cyclopentanone;DTXSID80963467;AC8276;MFCD00015762;AKOS006283558;BS-28902;SY262857

Suppliers and Price of 3-(2-Oxocyclopentyl)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

Matrix Scientific
3-(2-Oxocyclopentyl)propanenitrile 97%
1g
$ 2712.00

Atlantic Research Chemicals
3-(2-Oxocyclopentyl)propanenitrile 95%
Price $/1gm:
$ 1013.11

American Custom Chemicals Corporation
3-(2-OXOCYCLOPENTYL)PROPANENITRILE 95.00%
5MG
$ 502.69

AK Scientific
3-(2-Oxocyclopentyl)propanenitrile
1g
$ 667.00

Total 7 raw suppliers

Chemical Property of 3-(2-Oxocyclopentyl)propanenitrile

Chemical Property:

Vapor Pressure:0.00284mmHg at 25°C
Boiling Point:285.2°Cat760mmHg
Flash Point:126.3°C
PSA：40.86000
Density:1.033g/cm³
LogP:1.65938
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:137.084063974
Heavy Atom Count:10
Complexity:177

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Oxocyclopentyl)propanenitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Oxocyclopentyl)propanenitrile

There total 7 articles about 3-(2-Oxocyclopentyl)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: 77.0%

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

: 120-92-3
cyclopentanone

: 4594-77-8,58712-10-0
2-oxocyclopentanepropiononitrile

Guidance literature:: With pyrrolidine; In toluene; at 140 ℃;
DOI:10.1016/j.bmcl.2009.10.112

Reference yield: 58.0%

: 1614-92-2
1-(N-piperidino)cyclopentene

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

: 4594-77-8,58712-10-0
2-oxocyclopentanepropiononitrile

Guidance literature:: With acetic acid; In 1,4-dioxane; for 9h; Heating;

Reference yield: 54.0%

: 7148-07-4
1-pyrrolidinocyclopent-1-ene

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

: 4594-77-8,58712-10-0
2-oxocyclopentanepropiononitrile

Guidance literature:: 1-pyrrolidinocyclopent-1-ene; acrylonitrile; In 1,4-dioxane; Inert atmosphere; Reflux;

With water; In 1,4-dioxane; Reflux;
DOI:10.1016/j.tet.2015.12.047