2-(4-Butylphenyl)acetonitrile

Base Information

Chemical Name:2-(4-Butylphenyl)acetonitrile
CAS No.:105872-07-9
Molecular Formula:C12H15 N
Molecular Weight:173.258
Hs Code.:2926909090
DSSTox Substance ID:DTXSID60448742
Nikkaji Number:J932.258B
Mol file:105872-07-9.mol

Synonyms:2-(4-butylphenyl)acetonitrile;105872-07-9;Benzeneacetonitrile,4-butyl-;(4-Butylphenyl)acetonitrile;SCHEMBL6898751;DTXSID60448742;AKOS006310921

Suppliers and Price of 2-(4-Butylphenyl)acetonitrile

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
2-(4-butylphenyl)acetonitrile 95
10g
$ 1833.00

American Custom Chemicals Corporation
2-(4-BUTYLPHENYL)ACETONITRILE 95.00%
5MG
$ 500.48

Total 5 raw suppliers

Chemical Property of 2-(4-Butylphenyl)acetonitrile

Chemical Property:

PSA：23.79000
LogP:3.09528
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:173.120449483
Heavy Atom Count:13
Complexity:169

Purity/Quality:

98%Min ^*data from raw suppliers

2-(4-butylphenyl)acetonitrile 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC=C(C=C1)CC#N

Technology Process of 2-(4-Butylphenyl)acetonitrile

There total 14 articles about 2-(4-Butylphenyl)acetonitrile 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: 85.0%

: 7677-24-9
trimethylsilyl cyanide

: 10531-16-5
p-butylbenzylbromide

: 105872-07-9
(4-n-butylphenyl)acetonitrile

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; acetonitrile; at 45 ℃; for 22h; Inert atmosphere;
DOI:10.1246/cl.150274

Reference yield: 83.0%

: 4426-47-5
butylboronic acid

: 16532-79-9
4-Bromophenylacetonitrile

: 105872-07-9
(4-n-butylphenyl)acetonitrile

Guidance literature:: With potassium phosphate; palladium diacetate; In toluene; at 110 ℃;

Reference yield: 72.0%

: 109-72-8,29786-93-4
n-butyllithium

: 16532-79-9
4-Bromophenylacetonitrile

: 105872-07-9
(4-n-butylphenyl)acetonitrile

Guidance literature:: 4-Bromophenylacetonitrile; With bis(tri-tert-butylphosphine)palladium⁽⁰⁾; choline chloride; urea; In water; at 60 ℃; for 0.166667h; Schlenk technique;

n-butyllithium; With zinc(II) chloride; In 2-methyltetrahydrofuran; water; at 60 ℃; for 0.00555556h; Reagent/catalyst; Temperature; chemoselective reaction; Schlenk technique;
DOI:10.1002/anie.202101571