4-(1,3-Dioxolan-2-yl)benzonitrile

Base Information

Chemical Name:4-(1,3-Dioxolan-2-yl)benzonitrile
CAS No.:66739-89-7
Molecular Formula:C10H9 N O2
Molecular Weight:175.187
Hs Code.:2932999099
European Community (EC) Number:830-587-6
DSSTox Substance ID:DTXSID30380923
Nikkaji Number:J748.160H
Wikidata:Q82171425

Synonyms:4-(1,3-dioxolan-2-yl)benzonitrile;66739-89-7;2-(4-CYANOPHENYL)-1 3-DIOXOLANE;2-(4-Cyanophenyl)-1,3-dioxolane;SCHEMBL1334352;DTXSID30380923;AQXQCWAXQJVTKU-UHFFFAOYSA-N;MFCD00052570;4-[1,3]Dioxolan-2-yl-benzonitrile;4-[1,3]Dioxolane-2-yl-benzonitrile;AKOS023711415;4-[1,3]-Dioxolane-2-yl-benzonitrile;BS-53280;4-(1,3-dioxolan-2-yl)benzenecarbonitrile;FT-0767143;EN300-95851;Z1255431165

Suppliers and Price of 4-(1,3-Dioxolan-2-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

TRC
4-(1,3-Dioxolan-2-yl)benzonitrile
50mg
$ 65.00

TRC
4-(1,3-Dioxolan-2-yl)benzonitrile
25mg
$ 45.00

Crysdot
4-(1,3-Dioxolan-2-yl)benzonitrile 97%
5g
$ 353.00

Crysdot
4-(1,3-Dioxolan-2-yl)benzonitrile 97%
10g
$ 669.00

Crysdot
4-(1,3-Dioxolan-2-yl)benzonitrile 97%
25g
$ 1237.00

American Custom Chemicals Corporation
4-(1,3-DIOXOLAN-2-YL)BENZONITRILE 95.00%
2.5G
$ 1119.71

American Custom Chemicals Corporation
4-(1,3-DIOXOLAN-2-YL)BENZONITRILE 95.00%
1G
$ 794.34

American Custom Chemicals Corporation
4-(1,3-DIOXOLAN-2-YL)BENZONITRILE 95.00%
5G
$ 1379.44

Alichem
4-(1,3-Dioxolan-2-yl)benzonitrile
5g
$ 377.40

Alichem
4-(1,3-Dioxolan-2-yl)benzonitrile
25g
$ 1249.50

Total 10 raw suppliers

Chemical Property of 4-(1,3-Dioxolan-2-yl)benzonitrile

Chemical Property:

Vapor Pressure:0.00038mmHg at 25°C
Boiling Point:317.6oC at 760 mmHg
Flash Point:132.8oC
PSA：42.25000
Density:1.21g/cm3
LogP:1.60368
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:175.063328530
Heavy Atom Count:13
Complexity:206

Purity/Quality:

99%, ^*data from raw suppliers

4-(1,3-Dioxolan-2-yl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC(O1)C2=CC=C(C=C2)C#N

Technology Process of 4-(1,3-Dioxolan-2-yl)benzonitrile

There total 10 articles about 4-(1,3-Dioxolan-2-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: 100.0%

: 107-21-1
ethylene glycol

: 105-07-7
4-cyanobenzaldehyde

: 66739-89-7
4-(1,3-dioxolan-2-yl)benzonitrile

Guidance literature:: 4-cyanobenzaldehyde; With toluene-4-sulfonic acid; In toluene; at 20 ℃; for 0.0833333h; Dean-Stark;

ethylene glycol; In toluene; Dean-Stark; Reflux;

Reference yield: 72.0%

: 630-18-2
tert-butyl isocyanide

: 10602-01-4
p-bromobenzaldehyde 1,3-dioxolane

: 66739-89-7
4-(1,3-dioxolan-2-yl)benzonitrile

Guidance literature:: p-bromobenzaldehyde 1,3-dioxolane; With n-butyllithium; In tetrahydrofuran; hexane; at -50 ℃; for 0.5h; Inert atmosphere;

tert-butyl isocyanide; In tetrahydrofuran; hexane; at -50 - 20 ℃; for 0.5h; Further stages; Inert atmosphere;
DOI:10.1016/j.tet.2019.130550

Reference yield: 71.3%

: 646-06-0
1,3-DIOXOLANE

: 623-03-0
4-Cyanochlorobenzene

: 66739-89-7
4-(1,3-dioxolan-2-yl)benzonitrile

: 4-(1,3-dioxolan-4-yl)benzonitrile

Guidance literature:: 1,3-DIOXOLANE; 4-Cyanochlorobenzene; With potassium phosphate; (1,2-dimethoxyethane)dichloronickel(II); 4,4'-di-tert-butyl-2,2'-bipyridine; for 0.166667h; Glovebox;

With [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; at 23 ℃; for 72h; Sealed tube; Irradiation;
DOI:10.1002/anie.201702079