Diethyl 3-oxocyclohexane-1,2-dicarboxylate

Base Information

Chemical Name:Diethyl 3-oxocyclohexane-1,2-dicarboxylate
CAS No.:53445-05-9
Molecular Formula:C₁₂H₁₈O₅
Molecular Weight:242.272
Hs Code.:
DSSTox Substance ID:DTXSID40511266

Synonyms:diethyl 3-oxocyclohexane-1,2-dicarboxylate;53445-05-9;SCHEMBL2006803;DTXSID40511266

Suppliers and Price of Diethyl 3-oxocyclohexane-1,2-dicarboxylate

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 0 raw suppliers

Chemical Property of Diethyl 3-oxocyclohexane-1,2-dicarboxylate

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:242.11542367
Heavy Atom Count:17
Complexity:310

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1CCCC(=O)C1C(=O)OCC

Technology Process of Diethyl 3-oxocyclohexane-1,2-dicarboxylate

There total 4 articles about Diethyl 3-oxocyclohexane-1,2-dicarboxylate 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: 55.0%

: 2969-81-5
Ethyl 4-bromobutyrate

: C₈H₁₂O₄^(2-)*2Li⁽¹⁺⁾

: 53445-05-9
diethyl 3-oxocyclohexane-1,2-dicarboxylate

Guidance literature:: In tetrahydrofuran; at -78 ℃; for 144h; Product distribution;
DOI:10.1021/jo00145a024

Reference yield:

: 2969-81-5
Ethyl 4-bromobutyrate

: 123-25-1
succinic acid diethyl ester

: 53445-05-9
diethyl 3-oxocyclohexane-1,2-dicarboxylate

Guidance literature:: With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, -78 deg C, 30 min, 2.) THF, -78 deg C, 6 d;
DOI:10.1021/jo00145a024