4-(2-Cyanoacetyl)Benzonitrile

Base Information

Chemical Name:4-(2-Cyanoacetyl)Benzonitrile
CAS No.:71292-11-0
Molecular Formula:C10H6N2O
Molecular Weight:170.17
Hs Code.:2926909090
DSSTox Substance ID:DTXSID40501809
Nikkaji Number:J2.480.496H
Wikidata:Q72457928
Mol file:71292-11-0.mol

Synonyms:4-(2-Cyanoacetyl)Benzonitrile;71292-11-0;4-Cyanobenzoylacetonitrile;4-(2-cyanoacetyl)benzenecarbonitrile;4-(Cyanoacetyl)benzonitrile;SCHEMBL2303848;DTXSID40501809;HFABIHFBLNTOOW-UHFFFAOYSA-N;MFCD07021383;AKOS006285554;A9346;CS-0317283;FT-0604186;3Y-0811

Suppliers and Price of 4-(2-Cyanoacetyl)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

Labseeker
4-(2-Cyanoacetyl)benzonitrile 95
50g
$ 2842.00

Labseeker
4-(2-Cyanoacetyl)benzonitrile 95
25g
$ 2108.00

Labseeker
4-(2-Cyanoacetyl)benzonitrile 95
10g
$ 1417.00

Crysdot
4-(2-Cyanoacetyl)benzonitrile 95+%
1g
$ 347.00

Crysdot
4-(2-Cyanoacetyl)benzonitrile 95+%
5g
$ 1092.00

American Custom Chemicals Corporation
4-(2-CYANOACETYL)BENZENECARBONITRILE 95.00%
10MG
$ 675.51

American Custom Chemicals Corporation
4-(2-CYANOACETYL)BENZENECARBONITRILE 95.00%
5MG
$ 667.02

American Custom Chemicals Corporation
4-(2-CYANOACETYL)BENZENECARBONITRILE 95.00%
1MG
$ 628.20

Alichem
4-(2-Cyanoacetyl)benzonitrile
5g
$ 1133.00

Acrotein
4-Cyano-b-oxo-benzenepropanenitrile 97%
0.25g
$ 192.50

Total 17 raw suppliers

Chemical Property of 4-(2-Cyanoacetyl)Benzonitrile

Chemical Property:

Vapor Pressure:7.16E-07mmHg at 25°C
Melting Point:126-129℃
Refractive Index:1.558
Boiling Point:408.1 °C at 760 mmHg
PKA:6.59±0.10(Predicted)
Flash Point:200.6 °C
PSA：64.65000
Density:1.21 g/cm³
LogP:1.65466
Storage Temp.:2-8°C
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:170.048012819
Heavy Atom Count:13
Complexity:283

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Cyanoacetyl)benzonitrile 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)C(=O)CC#N

Technology Process of 4-(2-Cyanoacetyl)Benzonitrile

There total 11 articles about 4-(2-Cyanoacetyl)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%

: 1129-35-7
4-cyanobenzoic acid methyl ester

: 75-05-8,26809-02-9
acetonitrile

: 71292-11-0
3-(4-cyanophenyl)-3-oxopropanenitrile

Guidance literature:: acetonitrile; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 0.25h;

4-cyanobenzoic acid methyl ester; In tetrahydrofuran; mineral oil; at 60 ℃; for 2h;

Reference yield: 87.0%

: 7153-22-2
ethyl 4-cyanobenzoate

: 75-05-8,26809-02-9
acetonitrile

: 71292-11-0
3-(4-cyanophenyl)-3-oxopropanenitrile

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 78.0%

: 1116-98-9
cyanoacetic acid tert-butyl ester

: 623-00-7
4-bromobenzenecarbonitrile

: 82102-37-2
9-methyl-9H-fluorene-9-carbonyl chloride

: 71292-11-0
3-(4-cyanophenyl)-3-oxopropanenitrile

Guidance literature:: cyanoacetic acid tert-butyl ester; 4-bromobenzenecarbonitrile; 9-methyl-9H-fluorene-9-carbonyl chloride; With dichloro(1,5-cyclooctadiene)palladium(II); N-Methyldicyclohexylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; magnesium chloride; tri tert-butylphosphoniumtetrafluoroborate; In 1,4-dioxane; at 100 ℃; for 18h; Glovebox; Inert atmosphere;

With formic acid; In 1,4-dioxane; for 1h; Inert atmosphere;
DOI:10.1021/acs.joc.5b02897