Methanone, phenyl[2-(phenylethynyl)phenyl]-

Base Information

• Chemical Name: Methanone, phenyl[2-(phenylethynyl)phenyl]-
• CAS No.: 221458-86-2
• Molecular Formula: C21H14O
• Molecular Weight: 282.342
• DSSTox Substance ID: DTXSID60441531
• Nikkaji Number: J1.195.455C
• Wikidata: Q82258324

Synonyms:Methanone, phenyl[2-(phenylethynyl)phenyl]-;221458-86-2;(phenylethynyl)benzophenone;2-(Phenylethynyl)benzophenone;SCHEMBL4444737;DTXSID60441531

Chemical Property of Methanone, phenyl[2-(phenylethynyl)phenyl]-

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 282.104465066
• Heavy Atom Count: 22
• Complexity: 425

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC=CC=C2C(=O)C3=CC=CC=C3

Technology Process of Methanone, phenyl[2-(phenylethynyl)phenyl]-

There total 14 articles about Methanone, phenyl[2-(phenylethynyl)phenyl]- 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: 98.0%

[2-(hydroxyphenylmethyl)phenyl]phenylacetylene (221458-84-0) → (phenyl)[2-(2-phenylethynyl)phenyl]methanone (221458-86-2)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/ol901148p

Reference yield: 97.0%

2-iodobenzophenone (25187-00-2) + phenylacetylene (536-74-3) → (phenyl)[2-(2-phenylethynyl)phenyl]methanone (221458-86-2)

Guidance literature:

2-iodobenzophenone; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; triphenylphosphine; at 20 ℃; for 0.5h; Sealed tube; Inert atmosphere;

phenylacetylene; at 85 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.joc.7b00198

Reference yield: 97.0%

2-benzoylphenyl trifluoromethanesulfonate (512787-24-5) + phenylacetylene (536-74-3) → (phenyl)[2-(2-phenylethynyl)phenyl]methanone (221458-86-2)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetrabutylammomium bromide; triethylamine; In N,N-dimethyl-formamide; at 70 ℃; for 2.5h;

DOI:10.1055/s-0030-1259556

upstream raw materials:

[2-(hydroxyphenylmethyl)phenyl]phenylacetylene

2-iodobenzophenone

phenylacetylene

tributyl[2-(2-phenylethynyl)phenyl]stannane

Downstream raw materials:

5,10,11-triphenyl-11H-benzofluorene

1,3-diphenyl-1-(2-phenylethynyl-phenyl)-prop-2-yn-1-ol

(phenyl)(9-phenylanthracen-10-yl)methanone

1-(2-(2-(cyclopropylidene(phenyl)methyl)phenyl)ethynyl)benzene

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