Methyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate

Base Information

Chemical Name:Methyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate
CAS No.:87307-58-2
Molecular Formula:C12H18O4
Molecular Weight:226.273
Hs Code.:
DSSTox Substance ID:DTXSID80525564
Nikkaji Number:J888.231B

Synonyms:Methyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate;87307-58-2;DTXSID80525564

Suppliers and Price of Methyl 2-oxo-1-(3-oxobutyl)cyclohexane-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 Methyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:226.12050905
Heavy Atom Count:16
Complexity:308

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCC1(CCCCC1=O)C(=O)OC

Technology Process of Methyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate

There total 3 articles about Methyl 2-oxo-1-(3-oxobutyl)cyclohexane-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: 96.0%

: 78-94-4,25038-87-3
methyl vinyl ketone

: 41302-34-5
2-(methoxycarbonyl)cyclohexanone

: 87307-58-2
methyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate

Guidance literature:: With triethylamine; In methanol; Reflux;
DOI:10.1016/j.tet.2016.03.032

Reference yield: 91.0%

: 41302-34-5
2-(methoxycarbonyl)cyclohexanone

: 107-02-8,25068-14-8
acrolein

: 87307-58-2
methyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate

Guidance literature:: aluminum oxide; for 0.0833333h; Ambient temperature; other 1,3-dicarbonyl compounds, other acceptors;
DOI:10.1016/S0040-4020(01)90794-X

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 87307-58-2
methyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran

1.2: 3 h / Reflux

2.1: triethylamine / methanol / Reflux

With sodium hydride; triethylamine; In tetrahydrofuran; methanol; 2.1: |Michael Addition;
DOI:10.1016/j.tet.2016.03.032