2-Butylbenzonitrile

Base Information

Chemical Name:2-Butylbenzonitrile
CAS No.:57775-05-0
Molecular Formula:C11H13N
Molecular Weight:159.231
Hs Code.:
DSSTox Substance ID:DTXSID10483527
Nikkaji Number:J1.223.284E
Wikidata:Q82320906

Synonyms:2-BUTYLBENZONITRILE;57775-05-0;butylbenzonitrile;SCHEMBL1726412;DTXSID10483527;A831598

Suppliers and Price of 2-Butylbenzonitrile

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

Total 0 raw suppliers

Chemical Property of 2-Butylbenzonitrile

Chemical Property:

Boiling Point:247.4±9.0 °C(Predicted)
PSA：23.79000
Density:0.96±0.1 g/cm3(Predicted)
LogP:2.90088
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:159.104799419
Heavy Atom Count:12
Complexity:165

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC=CC=C1C#N

Technology Process of 2-Butylbenzonitrile

There total 12 articles about 2-Butylbenzonitrile 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: 91.0%

: 4426-47-5
butylboronic acid

: 2042-37-7
o-cyanobromobenzene

: 57775-05-0
2-n-butylbenzonitrile

Guidance literature:: With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane; In xylene; at 130 ℃; for 20h;
DOI:10.1016/j.tet.2004.03.009