Ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3-cyclohexene-1-carboxylate

Base Information

• Chemical Name: Ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3-cyclohexene-1-carboxylate
• CAS No.: 25960-25-2
• Molecular Formula: C22H22 O4
• Molecular Weight: 350.4077
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20376895
• Mol file: 25960-25-2.mol

Synonyms:25960-25-2;ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3-cyclohexene-1-carboxylate;ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate;Ethyl 4-methoxy-5'-oxo-2',3',4',5'-tetrahydro-[1,1':3',1''-terphenyl]-4'-carboxylate;CDS1_004582;CBMicro_030246;DivK1c_005622;SCHEMBL12023783;DTXSID20376895;MFCD02031258;AKOS000623336;AKOS016339883;WAY-298847;4-(4-Methoxy-phenyl)-2-oxo-6-phenyl-cyclohex-3-enecarboxylic acid ethyl ester;BIM-0030222.P001;CS-0320588;EU-0058430;FT-0679927;SR-01000907355;10T-0218;J-521038;SR-01000907355-1;Z234853614;ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenylcyclohex-3-enecarboxylate;ETHYL4-(4-METHOXYPHENYL)-2-OXO-6-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE;Ethyl 1~4~-methoxy-2~5~-oxo-2~2~,2~3~,2~4~,2~5~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~4~-carboxylate

Chemical Property of Ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3-cyclohexene-1-carboxylate

Chemical Property:

• Vapor Pressure: 2.7E-09mmHg at 25°C
• Melting Point: 107-108oC
• Boiling Point: 477.9°Cat760mmHg
• PKA: 10.13±0.60(Predicted)
• Flash Point: 208.1°C
• PSA: 52.60000
• Density: 1.165g/cm³
• LogP: 4.01450
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 350.15180918
• Heavy Atom Count: 26
• Complexity: 524

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3-cyclohexene-1-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3-cyclohexene-1-carboxylate

There total 6 articles about Ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3-cyclohexene-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: 90.0%

ethyl acetoacetate (141-97-9) + 4'-methoxychalcone (959-23-9) → ethyl 6-phenyl-4-(4-methoxyphenyl)-2-oxocyclohex-3-enecarboxylate (25960-25-2)

Guidance literature:

With piperidine; In ethanol; for 0.0166667h; Microwave irradiation;

Reference yield:

benzaldehyde (100-52-7) → ethyl 6-phenyl-4-(4-methoxyphenyl)-2-oxocyclohex-3-enecarboxylate (25960-25-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / ethanol / 1 h / 20 °C

2: sodium ethanolate / ethanol / 2 h / Reflux

With sodium ethanolate; sodium hydroxide; In ethanol;

DOI:10.3109/14756366.2010.503611

Reference yield:

1-(4-methoxyphenyl)ethanone (100-06-1) → ethyl 6-phenyl-4-(4-methoxyphenyl)-2-oxocyclohex-3-enecarboxylate (25960-25-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / ethanol / 1 h / 20 °C

2: sodium ethanolate / ethanol / 2 h / Reflux

With sodium ethanolate; sodium hydroxide; In ethanol;

DOI:10.3109/14756366.2010.503611

upstream raw materials:

ethyl acetoacetate

4'-methoxychalcone

benzaldehyde

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

6-cyclohexylamido-3-p-methoxy-5-phenylcyclohex-2-enone

4-(4-Methoxy-phenyl)-2-oxo-6-phenyl-cyclohex-3-enecarboxylic acid (2-chloro-acetyl)-cyclohexyl-amide

C₂₂H₂₁NO₃

9-(4-methoxyphenyl)-7-phenyl-1,4-diazaspiro[4.5]deca-9-ene-6-ethyl carboxylate