2-(4-tert-Butylphenyl)benzonitrile

Base Information

Chemical Name:2-(4-tert-Butylphenyl)benzonitrile
CAS No.:192699-49-3
Molecular Formula:C17H17N
Molecular Weight:235.32
Hs Code.:2926909090
DSSTox Substance ID:DTXSID60602504
Wikidata:Q82499608
Mol file:192699-49-3.mol

Synonyms:2-(4-tert-Butylphenyl)benzonitrile;192699-49-3;4'-Tert-butyl[1,1'-biphenyl]-2-carbonitrile;4'-(tert-Butyl)-[1,1'-biphenyl]-2-carbonitrile;[1,1'-Biphenyl]-2-carbonitrile, 4'-(1,1-dimethylethyl)-;SCHEMBL19797926;DTXSID60602504;MFCD06802647;AKOS004119007;BS-21992;4'-TERT-BUTYL-[1,1'-BIPHENYL]-2-CARBONITRILE

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

Total 2 raw suppliers

Chemical Property of 2-(4-tert-Butylphenyl)benzonitrile

Chemical Property:

PSA：23.79000
LogP:4.52278
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:235.136099547
Heavy Atom Count:18
Complexity:308

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2C#N

Technology Process of 2-(4-tert-Butylphenyl)benzonitrile

There total 2 articles about 2-(4-tert-Butylphenyl)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%

: 2042-37-7
o-cyanobromobenzene

: 123324-71-0
p-tert-butylphenylboronic acid

: 192699-49-3
4'-tert-butylbiphenyl-2-carbonitrile

Guidance literature:: With potassium carbonate; In water; isopropyl alcohol; at 20 ℃; for 0.0833333h; Catalytic behavior; Green chemistry;
DOI:10.1007/s10562-021-03755-w

Reference yield:

: 35779-04-5
1-tert-butyl-4-iodobenzene

: C₁₄H₈N₂Zn*2Li⁽¹⁺⁾*2C₇H₁₇N₂O^(1-)

: 192699-49-3
4'-tert-butylbiphenyl-2-carbonitrile

Guidance literature:: C₁₄H₈N₂Zn*2Li⁽¹⁺⁾*2C₇H₁₇N₂O^(1-); With chloro-trimethyl-silane; at 0 ℃; for 0.166667h; Schlenk technique; Inert atmosphere;

1-tert-butyl-4-iodobenzene; With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; at 0 - 20 ℃; for 12h; Schlenk technique; Inert atmosphere;
DOI:10.1002/anie.201906898