2-Cyclohexene-1-acetic acid, 1-(ethoxycarbonyl)-4-oxo-, ethyl ester

Base Information

Chemical Name:2-Cyclohexene-1-acetic acid, 1-(ethoxycarbonyl)-4-oxo-, ethyl ester
CAS No.:67133-07-7
Molecular Formula:C13H18O5
Molecular Weight:254.283
Hs Code.:
DSSTox Substance ID:DTXSID50460579

Synonyms:2-Cyclohexene-1-acetic acid, 1-(ethoxycarbonyl)-4-oxo-, ethyl ester;67133-07-7;DTXSID50460579

Suppliers and Price of 2-Cyclohexene-1-acetic acid, 1-(ethoxycarbonyl)-4-oxo-, ethyl ester

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 1 raw suppliers

Chemical Property of 2-Cyclohexene-1-acetic acid, 1-(ethoxycarbonyl)-4-oxo-, ethyl ester

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:254.11542367
Heavy Atom Count:18
Complexity:372

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1(CCC(=O)C=C1)C(=O)OCC

Technology Process of 2-Cyclohexene-1-acetic acid, 1-(ethoxycarbonyl)-4-oxo-, ethyl ester

There total 3 articles about 2-Cyclohexene-1-acetic acid, 1-(ethoxycarbonyl)-4-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: 89.0%

: 102154-93-8
β-Formyl-β-carbaethoxy-ε-keto-n-heptansaeure-diaethylester

: 67133-07-7
1-ethoxycarbonyl-4-oxo-2-cyclohexene-1-acetic acid ethyl ester

Guidance literature:: With toluene-4-sulfonic acid; In benzene; for 8h; Heating;
DOI:10.1002/anie.200250681

Reference yield:

: 5472-38-8
diethyl 2-formylbutanedioate

: 67133-07-7
1-ethoxycarbonyl-4-oxo-2-cyclohexene-1-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / 1,4-diazabicyclo[2.2.2]octane / tetrahydrofuran / 10 h / 20 °C

2: 89 percent / p-toluenesulfonic acid / benzene / 8 h / Heating

With 1,4-diaza-bicyclo[2.2.2]octane; toluene-4-sulfonic acid; In tetrahydrofuran; benzene; 1: Michael addition;
DOI:10.1002/anie.200250681

Reference yield:

: 123-25-1
succinic acid diethyl ester

: 67133-07-7
1-ethoxycarbonyl-4-oxo-2-cyclohexene-1-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / sodium hydride; ethanol / tetrahydrofuran / 10 h / 20 °C

2: 86 percent / 1,4-diazabicyclo[2.2.2]octane / tetrahydrofuran / 10 h / 20 °C

3: 89 percent / p-toluenesulfonic acid / benzene / 8 h / Heating

With 1,4-diaza-bicyclo[2.2.2]octane; ethanol; sodium hydride; toluene-4-sulfonic acid; In tetrahydrofuran; benzene; 2: Michael addition;
DOI:10.1002/anie.200250681