Ethyl 4-oxo[1,1'-biphenyl]-1(4H)-carboxylate

Base Information

• Chemical Name: Ethyl 4-oxo[1,1'-biphenyl]-1(4H)-carboxylate
• CAS No.: 52008-73-8
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• DSSTox Substance ID: DTXSID80501560
• Mol file: 52008-73-8.mol

Synonyms:52008-73-8;Ethyl 4-oxo[1,1'-biphenyl]-1(4H)-carboxylate;DTXSID80501560

Chemical Property of Ethyl 4-oxo[1,1'-biphenyl]-1(4H)-carboxylate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 371

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1(C=CC(=O)C=C1)C2=CC=CC=C2

Technology Process of Ethyl 4-oxo[1,1'-biphenyl]-1(4H)-carboxylate

There total 3 articles about Ethyl 4-oxo[1,1'-biphenyl]-1(4H)-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:

ethyl 1-phenyl-4-oxocyclohex-2-enecarboxylate (52008-84-1) → 4-oxo-1-phenyl-2,5-cyclohexadiene-1-carboxylic acid ethyl ester (52008-73-8)

Guidance literature:

With selenium(IV) oxide; acetic acid; In tert-butyl alcohol;

DOI:10.1021/ja00814a022

Reference yield:

Phenylselenyl chloride (5707-04-0) → 4-oxo-1-phenyl-2,5-cyclohexadiene-1-carboxylic acid ethyl ester (52008-73-8)

Guidance literature:

Multi-step reaction with 2 steps

2: (i) ClSiMe₃, (ii) /BRN= 971985/, (heating), (iii) aq. H₂O₂

DOI:10.1021/jo00430a040

Reference yield:

trans-1-Methoxy-4-phenylsebnobut-1-en-3-on (62680-12-0) + 2-phenyl-acrylic acid ethyl ester (22286-82-4) → 4-oxo-1-phenyl-2,5-cyclohexadiene-1-carboxylic acid ethyl ester (52008-73-8)

Guidance literature:

Multistep reaction; (i) ClSiMe₃, (ii) /BRN= 971985/, (heating), (iii) aq. H₂O₂;

DOI:10.1021/jo00430a040

upstream raw materials:

ethyl 1-phenyl-4-oxocyclohex-2-enecarboxylate

trans-1-Methoxy-4-phenylsebnobut-1-en-3-on

2-phenyl-acrylic acid ethyl ester

Phenylselenyl chloride

Downstream raw materials:

2-hydroxyfluoren-9-one