Ethyl 2-oxo-1-(propan-2-yl)cyclohexane-1-carboxylate

Base Information

• Chemical Name: Ethyl 2-oxo-1-(propan-2-yl)cyclohexane-1-carboxylate
• CAS No.: 2890-55-3
• Molecular Formula: C12H20O3
• Molecular Weight: 212.289
• DSSTox Substance ID: DTXSID60504913
• Mol file: 2890-55-3.mol

Synonyms:2890-55-3;Ethyl 2-oxo-1-(propan-2-yl)cyclohexane-1-carboxylate;DTXSID60504913

Chemical Property of Ethyl 2-oxo-1-(propan-2-yl)cyclohexane-1-carboxylate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.14124450
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCCC1=O)C(C)C

Technology Process of Ethyl 2-oxo-1-(propan-2-yl)cyclohexane-1-carboxylate

There total 4 articles about Ethyl 2-oxo-1-(propan-2-yl)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:

2-iodo-propane (75-30-9) + potassium 1-(ethoxycarbonyl)-2-oxocyclohexan-1-ide (75428-95-4) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 2-Aethoxycarbonyl-1-isopropyloxy-cyclohexen-1 (75428-94-3) + 1-isopropyl-2-oxo-cyclohexanecarboxylic acid ethyl ester (2890-55-3) + 6-Aethoxycarbonyl-1-isopropyloxy-cyclohexen-1 (75428-96-5) + ethyl 2-oxocyclohexane carboxylate (1655-07-8)

Guidance literature:

In dimethyl sulfoxide; at 30 ℃; for 2.5h; Mechanism; Product distribution; Rate constant; without crown ethers or in presence of benzo-15-crown-5 or benzo-18-crown-6; other solvent;

DOI:10.1016/S0040-4020(01)93692-0

Reference yield:

2-iodo-propane (75-30-9) + 2-carboethoxycyclohexenone(1-)Na(1+) (75428-93-2) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 2-Aethoxycarbonyl-1-isopropyloxy-cyclohexen-1 (75428-94-3) + 1-isopropyl-2-oxo-cyclohexanecarboxylic acid ethyl ester (2890-55-3) + 6-Aethoxycarbonyl-1-isopropyloxy-cyclohexen-1 (75428-96-5) + ethyl 2-oxocyclohexane carboxylate (1655-07-8)

Guidance literature:

In dimethyl sulfoxide; at 30 ℃; for 2.5h; Mechanism; Product distribution; Rate constant; without crown ethers or in presence of benzo-15-crown-5 or benzo-18-crown-6; other solvent;

DOI:10.1016/S0040-4020(01)93692-0

Reference yield:

2-iodo-propane (75-30-9) + ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 1-isopropyl-2-oxo-cyclohexanecarboxylic acid ethyl ester (2890-55-3)

Guidance literature:

With ethanol; sodium ethanolate;

upstream raw materials:

2-iodo-propane

ethyl 2-oxocyclohexane carboxylate

potassium 1-(ethoxycarbonyl)-2-oxocyclohexan-1-ide

2-carboethoxycyclohexenone^(1-)Na⁽¹⁺⁾

Downstream raw materials:

trans-isopropyl-cyclohexanecarboxylic acid

2-hydroxymethyl-2-isopropyl-cyclohexanol

2-isopropylcyclohexanone

6-Aethoxycarbonyl-6-isopropyl-2-hydroxy-cyclohexen-2-on-⁽¹⁾

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