Ethyl 2,4-dioxo-6-phenylcyclohexanecarboxylate

Base Information

• Chemical Name: Ethyl 2,4-dioxo-6-phenylcyclohexanecarboxylate
• CAS No.: 56540-06-8
• Molecular Formula: C15H16O4
• Molecular Weight: 260.29
• DSSTox Substance ID: DTXSID00504518
• Mol file: 56540-06-8.mol

Synonyms:ethyl 2,4-dioxo-6-phenylcyclohexanecarboxylate;56540-06-8;ethyl 2,4-dioxo-6-phenylcyclohexane-1-carboxylate;Cyclohexanecarboxylic acid, 2,4-dioxo-6-phenyl-, ethyl ester;SCHEMBL9711594;DTXSID00504518;MFCD00157158;AKOS005174297;LS-04485;CS-0319823;FT-0682987;ethyl2,4-dioxo-6-phenylcyclohexanecarboxylate;F75271

Chemical Property of Ethyl 2,4-dioxo-6-phenylcyclohexanecarboxylate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 260.10485899
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 2,4-dioxo-6-phenylcyclohexanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(CC(=O)CC1=O)C2=CC=CC=C2

Technology Process of Ethyl 2,4-dioxo-6-phenylcyclohexanecarboxylate

There total 4 articles about Ethyl 2,4-dioxo-6-phenylcyclohexanecarboxylate 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:

ethyl acetoacetate (141-97-9) + ethyl cinnamate (4192-77-2) → sodium enolate salt + ethyl 6-phenyl-2,4-dioxocyclohexane-1-carboxylate (56540-06-8)

Guidance literature:

With sodium ethanolate; sodium; In ethanol;

Reference yield:

1-Phenylbut-1-en-3-one (122-57-6) + diethyl malonate (105-53-3) → ethyl 6-phenyl-2,4-dioxocyclohexane-1-carboxylate (56540-06-8)

Guidance literature:

With sodium ethanolate;

Reference yield:

ethyl 3-phenyl-2-propenoate (103-36-6) + sodium ethyl acetylacetate enolate (1007476-32-5) → ethyl 6-phenyl-2,4-dioxocyclohexane-1-carboxylate (56540-06-8)

Guidance literature:

With ethanol;

upstream raw materials:

ethyl 3-phenyl-2-propenoate

sodium ethyl acetylacetate enolate

sodium diethylmalonate

1-Phenylbut-1-en-3-one

Downstream raw materials:

2,4-dioxo-6-phenyl-cyclohexanecarboxylic acid

4-oxo-2-phenyl-2,3,4,10-tetrahydro-1H-phenothiazine-1-carboxylic acid ethyl ester

ethyl 3-benzyl-6,9-dioxo-8-phenyl-3-azabicyclo<3.3.1.>nonane-1-carboxylate

5-oxo-3-phenylhexanoic acid

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