4-(3-Oxopropyl)benzonitrile

Base Information

Chemical Name:4-(3-Oxopropyl)benzonitrile
CAS No.:136295-53-9
Molecular Formula:C10H9NO
Molecular Weight:159.188
Hs Code.:
DSSTox Substance ID:DTXSID90456850
Nikkaji Number:J1.979.914J
Wikidata:Q82279433
Mol file:136295-53-9.mol

Synonyms:4-(3-oxopropyl)benzonitrile;136295-53-9;4-(3-OXO-PROPYL)-BENZONITRILE;Benzonitrile, 4-(3-oxopropyl)-;3-(4-Cyanophenyl)propanal;SCHEMBL2246626;Benzonitrile,4-(3-oxopropyl)-;DTXSID90456850;3-(p-cyanophenyl)-propionaldehyde;AKOS006229120;EN300-140338;F87783

Suppliers and Price of 4-(3-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
4-(3-oxopropyl)benzonitrile
25mg
$ 285.00

American Custom Chemicals Corporation
4-(3-OXO-PROPYL)-BENZONITRILE 95.00%
5MG
$ 501.00

Alichem
4-Cyanophenylpropanal
1g
$ 1490.00

Alichem
4-Cyanophenylpropanal
500mg
$ 815.00

Alichem
4-Cyanophenylpropanal
250mg
$ 470.40

AK Scientific
4-(3-Oxopropyl)benzonitrile
10g
$ 6883.00

Total 6 raw suppliers

Chemical Property of 4-(3-Oxopropyl)benzonitrile

Chemical Property:

Vapor Pressure:0.00209mmHg at 25°C
Refractive Index:1.534
Boiling Point:290.3°C at 760 mmHg
Flash Point:129.4°C
PSA：40.86000
Density:1.08g/cm³
LogP:1.68978
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:159.068413911
Heavy Atom Count:12
Complexity:183

Purity/Quality:

97% ^*data from raw suppliers

4-(3-oxopropyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CCC=O)C#N

Technology Process of 4-(3-Oxopropyl)benzonitrile

There total 9 articles about 4-(3-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: 93.0%

: 41917-85-5
p-cyanocinnamaldehyde

: 136295-53-9
3-(p-cyanophenyl)propionaldehyde

Guidance literature:: With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; dibenzylammonium trifluoroacetate salt; In tetrahydrofuran; at 20 ℃; for 5h;
DOI:10.1002/anie.200461816

Reference yield: 93.0%

: 136295-53-9
3-(p-cyanophenyl)propionaldehyde

Guidance literature:

Reference yield: 88.0%

: 3435-51-6
4-ethenylbenzonitrile

: 201230-82-2
carbon monoxide

: 2-(4'-cyanophenyl)propionaldehyde

: 136295-53-9
3-(p-cyanophenyl)propionaldehyde

Guidance literature:: With hydrogen; cetyltrimethylammonim bromide; In propan-1-ol; water; at 50 ℃; for 16h; regioselective reaction;
DOI:10.1016/j.molcata.2012.03.006