3-Cyclohexene-1-acetic acid, 4-ethoxy-1-methyl-2-oxo-, methyl ester

Base Information

Chemical Name:3-Cyclohexene-1-acetic acid, 4-ethoxy-1-methyl-2-oxo-, methyl ester
CAS No.:193019-47-5
Molecular Formula:C₁₂H₁₈O₄
Molecular Weight:226.273
Hs Code.:
DSSTox Substance ID:DTXSID70456651
Mol file:193019-47-5.mol

Synonyms:193019-47-5;3-Cyclohexene-1-acetic acid, 4-ethoxy-1-methyl-2-oxo-, methyl ester;DTXSID70456651

Suppliers and Price of 3-Cyclohexene-1-acetic acid, 4-ethoxy-1-methyl-2-oxo-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Cyclohexene-1-acetic acid, 4-ethoxy-1-methyl-2-oxo-, methyl ester

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:226.12050905
Heavy Atom Count:16
Complexity:319

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1=CC(=O)C(CC1)(C)CC(=O)OC

Technology Process of 3-Cyclohexene-1-acetic acid, 4-ethoxy-1-methyl-2-oxo-, methyl ester

There total 1 articles about 3-Cyclohexene-1-acetic acid, 4-ethoxy-1-methyl-2-oxo-, methyl 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:

: 62952-33-4
3-ethoxy-6-methylcyclohex-2-en-1-one

: 96-32-2
bromoacetic acid methyl ester

: 193019-47-5
(4-Ethoxy-1-methyl-2-oxo-cyclohex-3-enyl)-acetic acid methyl ester

Guidance literature:: With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, hexne, -78 deg C, 1 h, 2.) THF, hexane, RT, overnight;
DOI:10.1139/v97-079

Reference yield:

: 193019-47-5
(4-Ethoxy-1-methyl-2-oxo-cyclohex-3-enyl)-acetic acid methyl ester

: 193019-53-3
5-(2-Benzyloxy-ethyl)-5-methyl-2-oxo-cyclohex-3-enecarboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: LiAlH₄ / tetrahydrofuran / 22 h / Ambient temperature

2: 1.) NaH / 1.) THF, from 0 deg C to RT, 1 h, 2.) THF, RT, 25 h

3: 1.) LDA, 2.) HMPA / 1.) hexane, THF, 0 deg C, 1 h, 2.) hexane, THF, -78 deg C, 1 h

With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium aluminium tetrahydride; sodium hydride; lithium diisopropyl amide; In tetrahydrofuran;
DOI:10.1139/v97-079

Reference yield:

: 193019-47-5
(4-Ethoxy-1-methyl-2-oxo-cyclohex-3-enyl)-acetic acid methyl ester

: 5-(2-Benzyloxy-ethyl)-5-methyl-2-oxo-1-phenylselanyl-cyclohex-3-enecarboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: LiAlH₄ / tetrahydrofuran / 22 h / Ambient temperature

2: 1.) NaH / 1.) THF, from 0 deg C to RT, 1 h, 2.) THF, RT, 25 h

3: 1.) LDA, 2.) HMPA / 1.) hexane, THF, 0 deg C, 1 h, 2.) hexane, THF, -78 deg C, 1 h

4: pyridine / CH₂Cl₂ / 6 h / Ambient temperature

With pyridine; N,N,N,N,N,N-hexamethylphosphoric triamide; lithium aluminium tetrahydride; sodium hydride; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;
DOI:10.1139/v97-079