[2-Oxo-2-(4-phenylphenyl)ethyl] 3-methylbenzoate

Base Information

• Chemical Name: [2-Oxo-2-(4-phenylphenyl)ethyl] 3-methylbenzoate
• CAS No.: 6942-69-4
• Molecular Formula: C₂₂H₁₈O₃
• Molecular Weight: 330.383
• NSC Number: 57285
• DSSTox Substance ID: DTXSID10288670
• Wikidata: Q82025750
• Mol file: 6942-69-4.mol

Synonyms:NSC57285;6942-69-4;Oprea1_779730;DTXSID10288670;NSC-57285

Chemical Property of [2-Oxo-2-(4-phenylphenyl)ethyl] 3-methylbenzoate

Chemical Property:

• Vapor Pressure: 2.79E-11mmHg at 25°C
• Boiling Point: 529.1°Cat760mmHg
• Flash Point: 232.9°C
• Density: 1.16g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 330.125594432
• Heavy Atom Count: 25
• Complexity: 444

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Technology Process of [2-Oxo-2-(4-phenylphenyl)ethyl] 3-methylbenzoate

There total 4 articles about [2-Oxo-2-(4-phenylphenyl)ethyl] 3-methylbenzoate 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: 79.0%

2-Bromo-4'-phenylacetophenone (135-73-9) + m-Toluic acid (99-04-7) → 2-([1,1'-biphenyl]-4-yl)-2-oxoethyl 3-methylbenzoate (6942-69-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

DOI:10.1371/journal.pone.0170117

Reference yield:

2-Bromo-4'-phenylacetophenone (135-73-9) → 2-([1,1'-biphenyl]-4-yl)-2-oxoethyl 3-methylbenzoate (6942-69-4)

Guidance literature:

With ethanol;

DOI:10.1021/ja01372a045

Reference yield:

biphenyl (92-52-4,1594-86-1) → 2-([1,1'-biphenyl]-4-yl)-2-oxoethyl 3-methylbenzoate (6942-69-4)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃; carbon disulfide

2: acetic acid; bromine / 45 - 50 °C

3: aqueous ethanol

With carbon disulfide; aluminium trichloride; ethanol; bromine; acetic acid;

DOI:10.1021/ja01372a045

upstream raw materials:

2-Bromo-4'-phenylacetophenone

biphenyl-4-acetaldehyde

biphenyl

m-Toluic acid

Refernces