Ethyl 2-methyl-5-oxocyclohex-1-ene-1-carboxylate

Base Information

Chemical Name:Ethyl 2-methyl-5-oxocyclohex-1-ene-1-carboxylate
CAS No.:98046-49-2
Molecular Formula:C10H14O3
Molecular Weight:182.219
Hs Code.:
DSSTox Substance ID:DTXSID20571863
Wikidata:Q82460047

Synonyms:98046-49-2;Ethyl 2-methyl-5-oxocyclohex-1-ene-1-carboxylate;DTXSID20571863

Suppliers and Price of Ethyl 2-methyl-5-oxocyclohex-1-ene-1-carboxylate

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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 Ethyl 2-methyl-5-oxocyclohex-1-ene-1-carboxylate

Chemical Property:

XLogP3:0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.094294304
Heavy Atom Count:13
Complexity:263

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Ethyl 2-methyl-5-oxocyclohex-1-ene-1-carboxylate

There total 4 articles about Ethyl 2-methyl-5-oxocyclohex-1-ene-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: 80.0%

: 76379-88-9
8-Methyl-1,4-dioxa-spiro[4.5]dec-7-ene-7-carboxylic acid ethyl ester

: 98046-49-2
2-Methyl-5-oxo-cyclohex-1-enecarboxylic acid ethyl ester

Guidance literature:: With trifluoroacetic acid; In chloroform; at 21 ℃; for 72h;
DOI:10.1016/S0040-4039(98)01297-0

Reference yield:

: 4746-97-8
cyclohexanedione monoethylene ketal

: 98046-49-2
2-Methyl-5-oxo-cyclohex-1-enecarboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 60 percent / LDA, HMPA / tetrahydrofuran / 0.5 h / -78 °C

2: 99 percent / KHMDS / tetrahydrofuran / 1 h / -78 - 21 °C

3: 99 percent / diethyl ether / -78 - 21 °C

4: 80 percent / 35percent aq. CF₃COOH / CHCl₃ / 72 h / 21 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; potassium hexamethylsilazane; trifluoroacetic acid; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; chloroform;
DOI:10.1016/S0040-4039(98)01297-0

Reference yield:

: 14160-65-7,77793-24-9,122090-88-4
ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

: 98046-49-2
2-Methyl-5-oxo-cyclohex-1-enecarboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 99 percent / KHMDS / tetrahydrofuran / 1 h / -78 - 21 °C

2: 99 percent / diethyl ether / -78 - 21 °C

3: 80 percent / 35percent aq. CF₃COOH / CHCl₃ / 72 h / 21 °C

With potassium hexamethylsilazane; trifluoroacetic acid; In tetrahydrofuran; diethyl ether; chloroform;
DOI:10.1016/S0040-4039(98)01297-0