Ethyl 3-(3-oxocyclohex-1-en-1-yl)propanoate

Base Information

Chemical Name:Ethyl 3-(3-oxocyclohex-1-en-1-yl)propanoate
CAS No.:61589-75-1
Molecular Formula:C₁₁H₁₆O₃
Molecular Weight:196.246
Hs Code.:
DSSTox Substance ID:DTXSID50533095
Nikkaji Number:J2.401.411H
Wikidata:Q82406185

Synonyms:61589-75-1;Ethyl 3-(3-oxocyclohex-1-en-1-yl)propanoate;DTXSID50533095;ethyl 3-(3-oxo-1-cyclohexen-1-yl)propanoate;3-(3-oxo-1-cyclohexenyl)-propionic acid ethyl ester

Suppliers and Price of Ethyl 3-(3-oxocyclohex-1-en-1-yl)propanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Ethyl 3-(3-oxocyclohex-1-en-1-yl)propanoate

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:196.109944368
Heavy Atom Count:14
Complexity:253

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCC1=CC(=O)CCC1

Technology Process of Ethyl 3-(3-oxocyclohex-1-en-1-yl)propanoate

There total 3 articles about Ethyl 3-(3-oxocyclohex-1-en-1-yl)propanoate 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:

: 930-68-7
cyclohexenone

: 61589-75-1
ethyl 3-(3-oxocyclohex-1-enyl)propanoate

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran

2: n-BuLi

3: 1.) TMSOTf, 2.) n-Bu₄NF / 1.) THF, -78 deg C, 2.) THF

With n-butyllithium; trimethylsilyl trifluoromethanesulfonate; tetrabutyl ammonium fluoride; In tetrahydrofuran;
DOI:10.1016/S0040-4039(00)82882-8

Reference yield:

: Trifluoro-methanesulfonate[3-(tert-butyl-dimethyl-silanyloxy)-cyclohex-2-enyl]-triphenyl-phosphonium;

: 61589-75-1
ethyl 3-(3-oxocyclohex-1-enyl)propanoate

Guidance literature:: Multi-step reaction with 2 steps

1: n-BuLi

2: 1.) TMSOTf, 2.) n-Bu₄NF / 1.) THF, -78 deg C, 2.) THF

With n-butyllithium; trimethylsilyl trifluoromethanesulfonate; tetrabutyl ammonium fluoride;
DOI:10.1016/S0040-4039(00)82882-8

Reference yield:

: [3-(tert-Butyl-dimethyl-silanyloxy)-cyclohex-2-enylidene]-triphenyl-λ⁵-phosphane

: 140-88-5,9003-32-1
ethyl acrylate

: 61589-75-1
ethyl 3-(3-oxocyclohex-1-enyl)propanoate

Guidance literature:: With trimethylsilyl trifluoromethanesulfonate; tetrabutyl ammonium fluoride; Yield given. Multistep reaction; 1.) THF, -78 deg C, 2.) THF;
DOI:10.1016/S0040-4039(00)82882-8