3-(2-Oxopropyl)benzonitrile

Base Information

Chemical Name:3-(2-Oxopropyl)benzonitrile
CAS No.:73013-50-0
Molecular Formula:C10H9NO
Molecular Weight:159.18500
Hs Code.:2926909090
DSSTox Substance ID:DTXSID10538061
Nikkaji Number:J515.597E
Wikidata:Q82413279
Mol file:73013-50-0.mol

Synonyms:3-(2-oxopropyl)benzonitrile;73013-50-0;3-(2-OXO-PROPYL)-BENZONITRILE;(3-CYANOPHENYL)ACETONE;MFCD03410447;1-(3-cyanophenyl)acetone;3-(3-Cyanophenyl)acetone;SCHEMBL200244;DTXSID10538061;XECXKMQLEFHQHM-UHFFFAOYSA-N;CS-M0877;AKOS006275800;SB38483;CS-13325;SY026405;EN300-1847321;A866167;3-(2-Oxo-propyl)-benzonitrile;3-(2-Oxopropyl)benzonitrile

Suppliers and Price of 3-(2-Oxopropyl)benzonitrile

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

TRC
3-(2-Oxopropyl)benzonitrile
500mg
$ 310.00

SynQuest Laboratories
3-(2-Oxopropyl)benzonitrile
5 g
$ 1560.00

SynQuest Laboratories
3-(2-Oxopropyl)benzonitrile
1 g
$ 560.00

J&W Pharmlab
3-(2-Oxo-propyl)-benzonitrile 96%
500mg
$ 249.00

J&W Pharmlab
3-(2-Oxo-propyl)-benzonitrile 96%
250mg
$ 175.00

J&W Pharmlab
3-(2-Oxo-propyl)-benzonitrile 96%
100mg
$ 137.00

J&W Pharmlab
3-(2-Oxo-propyl)-benzonitrile 96%
1g
$ 398.00

J&W Pharmlab
3-(2-Oxo-propyl)-benzonitrile 96%
5g
$ 1590.00

Crysdot
3-(2-Oxopropyl)benzonitrile 97%
5g
$ 832.00

ChemScene
3-(2-Oxopropyl)benzonitrile
250mg
$ 79.00

Total 10 raw suppliers

Chemical Property of 3-(2-Oxopropyl)benzonitrile

Chemical Property:

PSA：40.86000
LogP:1.68978
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:159.068413911
Heavy Atom Count:12
Complexity:213

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Oxopropyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC1=CC(=CC=C1)C#N

Technology Process of 3-(2-Oxopropyl)benzonitrile

There total 9 articles about 3-(2-Oxopropyl)benzonitrile 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: 95.0%

: 3-(2-(ethylthio)prop-1-en-1-yl)benzonitrile

: 73013-50-0
3-(2-oxopropyl)benzonitrile

Guidance literature:: With toluene-4-sulfonic acid; In 1,2-dichloro-ethane; for 1h; Reflux;
DOI:10.1021/acs.orglett.1c01189

Reference yield: 77.0%

: 108-22-5
Isopropenyl acetate

: 2237-30-1
m-cyanoaniline

: 73013-50-0
3-(2-oxopropyl)benzonitrile

Guidance literature:: m-cyanoaniline; With methanesulfonic acid; 2,2-dimethylpropyl nitrite; In water; acetone; at 25 ℃; for 0.166667h; Green chemistry;

Isopropenyl acetate; In water; acetone; at 20 ℃; for 6h; Irradiation; Green chemistry;
DOI:10.1039/c8gc00012c

Reference yield: 76.0%

: 108-22-5
Isopropenyl acetate

: 6952-59-6
3-cyanobromobenzene

: 73013-50-0
3-(2-oxopropyl)benzonitrile

Guidance literature:: With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; tributyltin methoxide; DavePhos; In toluene; at 100 ℃;
DOI:10.1016/j.tetlet.2003.09.176