Methyl 4-(2-oxoethylidene)cyclohexane-1-carboxylate

Base Information

Chemical Name:Methyl 4-(2-oxoethylidene)cyclohexane-1-carboxylate
CAS No.:116289-14-6
Molecular Formula:C10H14O3
Molecular Weight:182.219
Hs Code.:
DSSTox Substance ID:DTXSID30564241
Mol file:116289-14-6.mol

Synonyms:116289-14-6;Methyl 4-(2-oxoethylidene)cyclohexane-1-carboxylate;SCHEMBL9800177;DTXSID30564241;ACQIWILGWWZQMH-UHFFFAOYSA-N;methyl 4-(oxoethylidene)cyclohexanecarboxylate

Suppliers and Price of Methyl 4-(2-oxoethylidene)cyclohexane-1-carboxylate

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
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price

Total 1 raw suppliers

Chemical Property of Methyl 4-(2-oxoethylidene)cyclohexane-1-carboxylate

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.094294304
Heavy Atom Count:13
Complexity:220

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CCC(=CC=O)CC1

Technology Process of Methyl 4-(2-oxoethylidene)cyclohexane-1-carboxylate

There total 4 articles about Methyl 4-(2-oxoethylidene)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:

: 7020-80-6
acetaldehyde N-tert-butylimine

: 6297-22-9
4-carbomethoxycyclohexanone

: 814-49-3
diethyl chlorophosphate

: 116289-14-6
Methyl 4-(2-Oxoethylidene)cyclohexanecarboxylate

Guidance literature:: With n-butyllithium; oxalic acid; diisopropylamine; In tetrahydrofuran; hexane; water; ethyl acetate; toluene;

Reference yield:

: 99-76-3,156291-94-0
methyl 4-hydroxylbenzoate

: 116289-14-6
Methyl 4-(2-Oxoethylidene)cyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / H₂ / 5percent Rh/alumina / methanol / 18 h / 2844.3 Torr

2: 97.5 percent / pyridinium chlorochromate, NaOAc, Celite / acetonitrile / 3.5 h / Ambient temperature

With Celite; hydrogen; sodium acetate; pyridinium chlorochromate; Rh/Al₂O₃; In methanol; acetonitrile;
DOI:10.1021/jo00005a019

Reference yield:

: 3618-03-9,6125-57-1,17449-76-2
methyl 4-hydroxycyclohexanecarboxylate

: 116289-14-6
Methyl 4-(2-Oxoethylidene)cyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 97.5 percent / pyridinium chlorochromate, NaOAc, Celite / acetonitrile / 3.5 h / Ambient temperature

With Celite; sodium acetate; pyridinium chlorochromate; In acetonitrile;
DOI:10.1021/jo00005a019