3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester

Base Information

• Chemical Name: 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester
• CAS No.: 90699-77-7
• Molecular Formula: C₂₂H₂₁NO₄
• Molecular Weight: 363.413
• European Community (EC) Number: 684-979-5

Synonyms:AKOS024322245;3-CYANO-4-HYDROXY-6-OXO-2,4-DIPHENYL-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER

Chemical Property of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester

Chemical Property:

• PSA: 87.39000
• LogP: 2.94988
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 363.14705815
• Heavy Atom Count: 27
• Complexity: 597

Purity/Quality:

3-CYANO-4-HYDROXY-6-OXO-2,4-DIPHENYL-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C#N)C3=CC=CC=C3

Technology Process of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester

There total 2 articles about 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl 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: 87.0%

ethyl acetoacetate (141-97-9) + 2-benzoyl-3-phenylacrylonitrile (101220-34-2) → 3-hydroxycyclohexanone (90699-77-7)

Guidance literature:

Reference yield:

(E)-2-Benzoyl-3-phenyl-acrylonitrile (20413-05-2,101220-34-2,101220-25-1) + ethyl acetoacetate (141-97-9) → 3-hydroxycyclohexanone (90699-77-7)

Guidance literature:

With triethylamine; In ethanol; Heating;

upstream raw materials:

ethyl acetoacetate

2-benzoyl-3-phenylacrylonitrile

(E)-2-Benzoyl-3-phenyl-acrylonitrile

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