1-Cyclohexene-1-carboxylic acid, 3-oxo-, ethyl ester

Base Information

Chemical Name:1-Cyclohexene-1-carboxylic acid, 3-oxo-, ethyl ester
CAS No.:25017-79-2
Molecular Formula:C9H12O3
Molecular Weight:168.192
Hs Code.:
DSSTox Substance ID:DTXSID70452496
Wikidata:Q82273172

Synonyms:25017-79-2;1-Cyclohexene-1-carboxylic acid, 3-oxo-, ethyl ester;DTXSID70452496

Suppliers and Price of 1-Cyclohexene-1-carboxylic acid, 3-oxo-, ethyl ester

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

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Chemical Property of 1-Cyclohexene-1-carboxylic acid, 3-oxo-, ethyl ester

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.078644241
Heavy Atom Count:12
Complexity:228

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC(=O)CCC1

Technology Process of 1-Cyclohexene-1-carboxylic acid, 3-oxo-, ethyl ester

There total 11 articles about 1-Cyclohexene-1-carboxylic acid, 3-oxo-, ethyl ester 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: 91.0%

: 79663-63-1
ethyl 3-hydroxycyclohex-1-enecarboxylate

: 25017-79-2
ethyl 3-oxocyclohex-1-ene-1-carboxylate

Guidance literature:: With laccase M₁₂₀; oxygen; 2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate; In aq. acetate buffer; at 30 ℃; for 24h; pH=5; Enzymatic reaction;
DOI:10.1039/c7gc02215h

Reference yield: 80.0%

: 129104-36-5
ethyl 2-(bromomethyl)-1-cyclopentanone-2-carboxylate

: 25017-79-2
ethyl 3-oxocyclohex-1-ene-1-carboxylate

Guidance literature:: With N,N,N,N,-tetramethylethylenediamine; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In benzene; at 20 ℃; for 24h; Irradiation;
DOI:10.1039/d0sc04399k