4-(3-Oxobutyl)benzonitrile

Base Information

Chemical Name:4-(3-Oxobutyl)benzonitrile
CAS No.:30780-21-3
Molecular Formula:C11H11NO
Molecular Weight:173.214
Hs Code.:
DSSTox Substance ID:DTXSID401311450
Nikkaji Number:J1.312.525B
Mol file:30780-21-3.mol

Synonyms:4-(3-oxobutyl)benzonitrile;30780-21-3;4-(4-cyanophenyl)-2-butanone;SCHEMBL1507376;4-(4-cyanophenyl)butan-2-one;TYLSWJNMFKXNDW-UHFFFAOYSA-N;DTXSID401311450;AKOS005067487;FT-0747390;EN300-1856603

Suppliers and Price of 4-(3-Oxobutyl)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 4-(3-Oxobutyl)benzonitrile

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:173.084063974
Heavy Atom Count:13
Complexity:218

Purity/Quality:: 99% ，98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCC1=CC=C(C=C1)C#N

Technology Process of 4-(3-Oxobutyl)benzonitrile

There total 10 articles about 4-(3-Oxobutyl)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: 99.0%

: 51220-06-5
4-(p-cyanophenyl)-3-buten-2-one

: 30780-21-3
4-(4-cyanophenyl)-2-butanone

Guidance literature:: With formic acid; [Pd(C,N-2-chloro-7-(mesitylimidazolylidenylmethyl)naphthyridine)(η³-allyl)](BF₄); triethylamine; In isopropyl alcohol; for 16h; Inert atmosphere; Reflux;
DOI:10.1002/aoc.3673

Reference yield: 95.0%

: 105-07-7
4-cyanobenzaldehyde

: 1439-36-7
1-triphenylphosphoranylidene-2-propanone

: 30780-21-3
4-(4-cyanophenyl)-2-butanone

Guidance literature:: 4-cyanobenzaldehyde; 1-triphenylphosphoranylidene-2-propanone; In 1,2-dichloro-ethane; Inert atmosphere; Reflux;

With trichlorosilane; In 1,2-dichloro-ethane; at 0 - 20 ℃; for 4h;
DOI:10.1039/c8ob02480d

Reference yield: 82.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 78-94-4,25038-87-3
methyl vinyl ketone

: 30780-21-3
4-(4-cyanophenyl)-2-butanone

Guidance literature:: With tetrabutylammomium bromide; tetra-(n-butyl)ammonium iodide; nickel dibromide; In pyridine; N,N-dimethyl-formamide; at 70 ℃; Electrochemical reaction;
DOI:10.1002/1099-0690(20021)2002:1<105::AID-EJOC105>3.0.CO;2-J