Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate

Base Information

Chemical Name:Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate
CAS No.:61771-76-4
Molecular Formula:C13H20O3
Molecular Weight:224.3
Hs Code.:
DSSTox Substance ID:DTXSID80546471
Nikkaji Number:J683.375F

Synonyms:61771-76-4;DTXSID80546471;Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate;Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexanecarboxylate

Suppliers and Price of Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate

Supply Marketing:

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

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Chemical Property of Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:224.14124450
Heavy Atom Count:16
Complexity:283

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1(CCCCC1=O)CCC=C

Technology Process of Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate

There total 3 articles about Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate 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: 78.0%

: 5162-44-7
1-bromo-4-butene

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

: 61771-76-4
1-(but-3-enyl)-2-oxocyclohexanecarboxylic acid ethyl ester

Guidance literature:: With potassium tert-butylate; potassium iodide; In tert-butyl alcohol; 1.) room temp., 1-2 h; 2.) reflux, 22-24 h;
DOI:10.1055/s-1981-29331

Reference yield: 51.0%

: 5162-44-7
1-bromo-4-butene

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

: 61771-76-4
1-(but-3-enyl)-2-oxocyclohexanecarboxylic acid ethyl ester

: ethyl 2-(but-3-enyloxy)cyclohex-1-enecarboxylate

Guidance literature:: ethyl 2-oxocyclohexane carboxylate; With potassium tert-butylate; In dimethyl sulfoxide; for 5h;

1-bromo-4-butene; In dimethyl sulfoxide; Overall yield = 3.44 percent;
DOI:10.1039/d0cc01316a