ethyl alpha-oxo[1,1'-biphenyl]-4-acetate

Base Information

• Chemical Name: ethyl alpha-oxo[1,1'-biphenyl]-4-acetate
• CAS No.: 6244-53-7
• Molecular Formula: C16H14 O3
• Molecular Weight: 254.285
• Hs Code.: 2918300090
• European Community (EC) Number: 228-355-9
• DSSTox Substance ID: DTXSID90211481
• Nikkaji Number: J211.471B
• Wikidata: Q83086415
• ChEMBL ID: CHEMBL3683954
• Mol file: 6244-53-7.mol

Synonyms:Glyoxylicacid, (4-biphenylyl)-, ethyl ester (7CI,8CI); Ethyl (4-phenylbenzoyl)formate;Ethyl 2-(biphenyl-4-yl)-2-oxoacetate; Ethyl 4-biphenylylglyoxylate; Ethylp-biphenylylglyoxylate

Chemical Property of ethyl alpha-oxo[1,1'-biphenyl]-4-acetate

Chemical Property:

• Melting Point: 38-39 °C
• Boiling Point: 205 °C(Press: 5 Torr)
• Flash Point: 185.3oC
• PSA: 43.37000
• Density: 1.141±0.06 g/cm3(Predicted)
• LogP: 3.09940
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Biphenyl-4-yloxoaceticacidethylester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of ethyl alpha-oxo[1,1'-biphenyl]-4-acetate

There total 18 articles about ethyl alpha-oxo[1,1'-biphenyl]-4-acetate 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: 78.0%

ethanol (64-17-5) + 4-ethynyl-1,1'-biphenyl (29079-00-3) → ethyl (4-phenylphenyl)glyoxylate (6244-53-7)

Guidance literature:

With iodosylbenzene; silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 40 ℃; for 1.5h;

DOI:10.1021/acs.orglett.5b03484

Reference yield: 78.0%

biphenyl-4-acetaldehyde (92-91-1) + potassium ethyl xanthogenate (140-89-6) → ethyl (4-phenylphenyl)glyoxylate (6244-53-7)

Guidance literature:

With iodine; dimethyl sulfoxide; In water; at 80 ℃; for 12h; Schlenk technique;

DOI:10.1021/acs.joc.9b03272

Reference yield: 72.0%

ethyl 2-([1,1′-biphenyl]-4-yl)-2-diazoacetate → ethyl (4-phenylphenyl)glyoxylate (6244-53-7)

Guidance literature:

With copper nanoparticles on activated carbon; oxygen; In 1,2-dichloro-ethane; at 30 ℃; for 36h; Schlenk technique;

DOI:10.1039/d1ob00811k

upstream raw materials:

biphenyl

Ethyl oxalyl chloride

oxalic acid diethyl ester

4-iodo-biphenyl

Downstream raw materials:

methyl 2-([1,1'-biphenyl]-4-yl)-2-oxoacetate

2-([1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydroquinoxaline

N-(3-(N,N-dimethylaminocarbonylphenyl))-2-oxo-2-(4-phenylphenyl)acetamide