3-(3-Oxocyclopent-1-en-1-yl)benzonitrile

Base Information

Chemical Name:3-(3-Oxocyclopent-1-en-1-yl)benzonitrile
CAS No.:849697-79-6
Molecular Formula:C12H9 N O
Molecular Weight:183.21
Hs Code.:2926909090
DSSTox Substance ID:DTXSID30458671
Wikidata:Q82282139
Mol file:849697-79-6.mol

Synonyms:849697-79-6;3-(3-Oxocyclopent-1-en-1-yl)benzonitrile;SCHEMBL14102137;DTXSID30458671;AKOS006238340;3-(3-Oxo-1-cyclopenten-1-yl)benzonitrile;3-(3-OXO-CYCLOPENT-1-ENYL)-BENZONITRILE

Suppliers and Price of 3-(3-Oxocyclopent-1-en-1-yl)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

American Custom Chemicals Corporation
3-(3-OXO-CYCLOPENT-1-ENYL)-BENZONITRILE 95.00%
5MG
$ 498.07

Total 4 raw suppliers

Chemical Property of 3-(3-Oxocyclopent-1-en-1-yl)benzonitrile

Chemical Property:

PSA：40.86000
LogP:2.30458
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:183.068413911
Heavy Atom Count:14
Complexity:321

Purity/Quality:

95% ^*data from raw suppliers

3-(3-OXO-CYCLOPENT-1-ENYL)-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)C=C1C2=CC=CC(=C2)C#N

Technology Process of 3-(3-Oxocyclopent-1-en-1-yl)benzonitrile

There total 2 articles about 3-(3-Oxocyclopent-1-en-1-yl)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: 59.0%

: 6952-59-6
3-cyanobromobenzene

: 4683-50-5
3-methoxycyclopent-2-enone

: 849697-79-6
3-(3-oxocyclopent-1-enyl)-benzonitrile

Guidance literature:: 3-cyanobromobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

3-methoxycyclopent-2-enone; In tetrahydrofuran; hexane; at -78 - -20 ℃; for 1.5h;
DOI:10.1021/jm049035q DOI:10.1021/jm050886n

Reference yield: 58.0%

: 930-30-3
cyclopent-2-enone

: 6952-59-6
3-cyanobromobenzene

: 849697-79-6
3-(3-oxocyclopent-1-enyl)-benzonitrile

Guidance literature:: With potassium fluoride; palladium diacetate; In N,N-dimethyl-formamide; at 130 ℃; for 18h; Inert atmosphere;
DOI:10.1016/j.tet.2008.11.006

Reference yield: 80.0%

: 849697-79-6
3-(3-oxocyclopent-1-enyl)-benzonitrile

: 849697-80-9
3-(3-hydroxycyclopent-1-enyl)benzonitrile

Guidance literature:: With sodium tetrahydroborate; cerium(III) chloride; In methanol; at 0 - 20 ℃; for 12h;
DOI:10.1021/jm049035q DOI:10.1021/jm050886n