3-(3-Oxopropyl)benzonitrile

Base Information

Chemical Name:3-(3-Oxopropyl)benzonitrile
CAS No.:111376-39-7
Molecular Formula:C₁₀H₉NO
Molecular Weight:159.188
Hs Code.:2926909090
DSSTox Substance ID:DTXSID70551271
Wikidata:Q82430835
Mol file:111376-39-7.mol

Synonyms:3-(3-Oxopropyl)benzonitrile;111376-39-7;3-(3-OXO-PROPYL)-BENZONITRILE;Benzonitrile, 3-(3-oxopropyl)-;3-(3-cyanophenyl)propanal;SCHEMBL2556190;DTXSID70551271;ULKIPHRCPMEELY-UHFFFAOYSA-N;MFCD13181191;SB30683;CS-0001360;EN300-1846174

Suppliers and Price of 3-(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
3-(3-oxo-Propyl)-benzonitrile
100mg
$ 310.00

TRC
3-(3-oxo-Propyl)-benzonitrile
10mg
$ 45.00

J&W Pharmlab
3-(3-Oxo-propyl)-benzonitrile 97%
250mg
$ 325.00

J&W Pharmlab
3-(3-Oxo-propyl)-benzonitrile 97%
100mg
$ 212.00

J&W Pharmlab
3-(3-Oxo-propyl)-benzonitrile 97%
50mg
$ 156.00

J&W Pharmlab
3-(3-Oxo-propyl)-benzonitrile 97%
1g
$ 998.00

J&W Pharmlab
3-(3-Oxo-propyl)-benzonitrile 97%
500mg
$ 549.00

J&W Pharmlab
3-(3-Oxo-propyl)-benzonitrile 97%
5g
$ 3998.00

Alichem
3-Cyanophenylpropanal
1g
$ 1460.20

Alichem
3-Cyanophenylpropanal
250mg
$ 480.00

Total 8 raw suppliers

Chemical Property of 3-(3-Oxopropyl)benzonitrile

Chemical Property:

Vapor Pressure:0.00398mmHg at 25°C
Boiling Point:279.6°C at 760 mmHg
Flash Point:122.9°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:191

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-oxo-Propyl)-benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(3-Oxopropyl)benzonitrile

There total 5 articles about 3-(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: 76.0%

: 20461-86-3
2,2-diethoxy acetic acid

: 5338-96-5
3-cyanostyrene

: 111376-39-7
3-(3-oxopropyl)benzonitrile

Guidance literature:: 2,2-diethoxy acetic acid; 3-cyanostyrene; With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2.5h; Inert atmosphere; Flow reactor; Irradiation;

With hydrogenchloride; In water; N,N-dimethyl-formamide; for 1h;
DOI:10.1021/jacs.7b05082

Reference yield:

: 69113-59-3
3-iodobenzonitrile

: 107-18-6
allyl alcohol

: 111376-39-7
3-(3-oxopropyl)benzonitrile

Guidance literature:: With tetrabutyl-ammonium chloride; palladium diacetate; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2.5h;