Ethyl 2-methyl-6-oxocyclohexane-1-carboxylate

Base Information

Chemical Name:Ethyl 2-methyl-6-oxocyclohexane-1-carboxylate
CAS No.:58019-68-4
Molecular Formula:C10H16O3
Molecular Weight:184.235
Hs Code.:
DSSTox Substance ID:DTXSID20545266

Synonyms:58019-68-4;Ethyl 2-methyl-6-oxocyclohexane-1-carboxylate;ethyl 2-methyl-6-oxocyclohexanecarboxylate;SCHEMBL5796691;DTXSID20545266;ethyl2-methyl-6-oxocyclohexanecarboxylate

Suppliers and Price of Ethyl 2-methyl-6-oxocyclohexane-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 Ethyl 2-methyl-6-oxocyclohexane-1-carboxylate

Chemical Property:

PSA：43.37000
LogP:1.55480
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:184.109944368
Heavy Atom Count:13
Complexity:210

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1C(CCCC1=O)C

Technology Process of Ethyl 2-methyl-6-oxocyclohexane-1-carboxylate

There total 5 articles about Ethyl 2-methyl-6-oxocyclohexane-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: 58.4%

: 57205-09-1
ethyl 6-oxocyclohex-1-enecarboxylate

: 917-54-4
methyllithium

: 58019-68-4
Ethyl 6-Methyl-2-oxo-cyclohexanecarboxylate

Guidance literature:: methyllithium; With thien-2-yl(cyano)copper lithium; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.166667h;

ethyl 6-oxocyclohex-1-enecarboxylate; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃; for 1.08333h;

With ammonia; water; ammonium chloride; In tetrahydrofuran; diethyl ether;

Reference yield:

: 22668-36-6
ethyl 5-oxopentanoate

: 58019-68-4
Ethyl 6-Methyl-2-oxo-cyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 15.1 g / benzene / 12 h / Heating

2: 1) anhydr. CuCl / 1) THF, -20 deg C, 1 h, 2) THF, -20 deg C

With copper(l) chloride; In benzene;
DOI:10.1021/jo00051a058

Reference yield:

: 54653-25-7
ethyl hex-5-enoate

: 58019-68-4
Ethyl 6-Methyl-2-oxo-cyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 1) O₃, 2) (CH₃)2S / 1) CH₂Cl₂, - 78 deg C, 2) -78 deg C to RT, 3 h

2: 15.1 g / benzene / 12 h / Heating

3: 1) anhydr. CuCl / 1) THF, -20 deg C, 1 h, 2) THF, -20 deg C

With dimethylsulfide; ozone; copper(l) chloride; In benzene;
DOI:10.1021/jo00051a058