Ethyl 4-(4-cyanophenyl)butanoate

Base Information

Chemical Name:Ethyl 4-(4-cyanophenyl)butanoate
CAS No.:131379-33-4
Molecular Formula:C13H15NO2
Molecular Weight:217.268
Hs Code.:
DSSTox Substance ID:DTXSID30474119
Nikkaji Number:J1.884.844I
Wikidata:Q82303920

Synonyms:Ethyl 4-(4-cyanophenyl)butanoate;131379-33-4;Benzenebutanoic acid, 4-cyano-, ethyl ester;SCHEMBL8466268;DTXSID30474119

Suppliers and Price of Ethyl 4-(4-cyanophenyl)butanoate

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 5 raw suppliers

Chemical Property of Ethyl 4-(4-cyanophenyl)butanoate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:217.110278721
Heavy Atom Count:16
Complexity:258

Purity/Quality:: 99.0%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCCC1=CC=C(C=C1)C#N

Technology Process of Ethyl 4-(4-cyanophenyl)butanoate

There total 8 articles about Ethyl 4-(4-cyanophenyl)butanoate 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: 97.0%

: 623-03-0
4-Cyanochlorobenzene

: 2969-81-5
Ethyl 4-bromobutyrate

: 131379-33-4
4-cyano-benzenebutanoic acid ethyl ester

Guidance literature:: Ethyl 4-bromobutyrate; With iodine; zinc; In N,N-dimethyl acetamide; at 80 ℃; for 3h;

4-Cyanochlorobenzene; bis(triphenylphosphine)nickel(II) chloride; In N,N-dimethyl acetamide; at 20 ℃; for 1h; Further stages.;
DOI:10.1021/ol0272693

Reference yield: 94.0%

: 623-03-0
4-Cyanochlorobenzene

: 3153-36-4
4-chloro-butyric acid ethyl ester

: 131379-33-4
4-cyano-benzenebutanoic acid ethyl ester

Guidance literature:: 4-chloro-butyric acid ethyl ester; With tetrabutylammomium bromide; iodine; zinc; In N,N-dimethyl acetamide; at 80 ℃; for 12h;

4-Cyanochlorobenzene; bis(triphenylphosphine)nickel(II) chloride; In N,N-dimethyl acetamide; Further stages.;
DOI:10.1021/ol0272693

Reference yield: 92.0%

: 623-03-0
4-Cyanochlorobenzene

: 2969-81-5
Ethyl 4-bromobutyrate

: 2050-23-9
diethyl suberate

: 1591-30-6
(1,1'-biphenyl)-4,4'-dicarbonitrile

: 131379-33-4
4-cyano-benzenebutanoic acid ethyl ester

: 105-54-4
butanoic acid ethyl ester

: 100-47-0
benzonitrile

Guidance literature:: With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 4,4'-Dimethoxy-2,2'-bipyridin; NiI₂*3.5H₂O; sodium iodide; zinc; at 20 - 60 ℃; for 19h; chemoselective reaction;
DOI:10.1021/ja301769r