Ethyl 2-oxo-1-(2-oxopropyl)cyclohexane-1-carboxylate

Base Information

• Chemical Name: Ethyl 2-oxo-1-(2-oxopropyl)cyclohexane-1-carboxylate
• CAS No.: 24731-07-5
• Molecular Formula: C12H18O4
• Molecular Weight: 226.273
• DSSTox Substance ID: DTXSID90502982
• Nikkaji Number: J1.003.025K
• Mol file: 24731-07-5.mol

Synonyms:24731-07-5;Ethyl 2-oxo-1-(2-oxopropyl)cyclohexane-1-carboxylate;DTXSID90502982;AKOS015906215;1-acetonyl-2-keto-cyclohexane-1-carboxylic acid ethyl ester;2-oxo-1-(2-oxo-propyl)-cyclohexane-1-carboxylic acid ethyl ester

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

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 226.12050905
• Heavy Atom Count: 16
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 12 articles about Ethyl 2-oxo-1-(2-oxopropyl)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: 87.0%

ethyl 1-allyl-2-oxocyclohexanecarboxylate (61771-75-3) → 2-oxo-1-(2-oxo-propyl)-cyclohexanecarboxylic acid ethyl ester (24731-07-5) + ethyl 2-oxo-1-((E)-prop-1-enyl)cyclohexanecarboxylate (159309-79-2)

Guidance literature:

With p-benzoquinone; palladium dichloride; In water; N,N-dimethyl-formamide; for 5h; Product distribution; Ambient temperature; other quinones; also with electrolysis; various cathodic peak potentials;

Reference yield: 83.0%

ethyl 1-(2-azidoallyl)-2-oxocyclohexane-1-carboxylate → 2-oxo-1-(2-oxo-propyl)-cyclohexanecarboxylic acid ethyl ester (24731-07-5)

Guidance literature:

With tetrafluoroboric acid; water; In acetonitrile; at 15 ℃; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.8b00395

Reference yield: 82.0%

ethyl 1-allyl-2-oxocyclohexanecarboxylate (61771-75-3) → 2-oxo-1-(2-oxo-propyl)-cyclohexanecarboxylic acid ethyl ester (24731-07-5)

Guidance literature:

With palladium diacetate; perchloric acid; iron(II) phthalocyanine; oxygen; hydroquinone; In water; N,N-dimethyl-formamide; at 20 ℃; for 8h; under 760 Torr;

upstream raw materials:

2-oxo-1-prop-2-ynyl-cyclohexanecarboxylic acid ethyl ester

ethyl 1-allyl-2-oxocyclohexanecarboxylate

2-nitropropene

ethyl 2-oxocyclohexane carboxylate