[3,5-Bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone

Base Information

• Chemical Name: [3,5-Bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone
• CAS No.: 267668-44-0
• Molecular Formula: C27H15F3O3
• Molecular Weight: 444.41
• DSSTox Substance ID: DTXSID10391239
• Nikkaji Number: J1.382.723K
• Wikidata: Q82188565

Synonyms:267668-44-0;[3,5-bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1,3,5-Tris(4-fluorobenzoyl)benzene;Methanone, 1,3,5-benzenetriyltris[(4-fluorophenyl)-;(3,5-bis(4-Fluorobenzoyl)phenyl)(4-fluorophenyl)methanone;Oprea1_777658;SCHEMBL1070238;DTXSID10391239;DNLRPRKUMOVZJR-UHFFFAOYSA-N;1,3,5-tri(4-fluorobenzoyl)benzene;AKOS005102027;F72911;8R-0863;benzene-1,3,5-triyltris((4-fluorophenyl)methanone);[3,5-bis(4-fluorobenzoyl)phenyl](4-fluorophenyl) methanone

Chemical Property of [3,5-Bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone

Chemical Property:

• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 444.09732882
• Heavy Atom Count: 33
• Complexity: 594

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC(=CC(=C2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F)F

Technology Process of [3,5-Bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone

There total 3 articles about [3,5-Bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone 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%

fluorobenzene (462-06-6) + 1,3,5-benzene tris(carbonyl chloride) (4422-95-1) → [3,5-bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone (267668-44-0)

Guidance literature:

fluorobenzene; 1,3,5-benzene tris(carbonyl chloride); With aluminum (III) chloride; at 20 ℃; for 12h;

at 90 ℃; for 2h;

DOI:10.1039/c5ta08705h

Reference yield: 98.0%

1-(4-fluorophenyl)prop-2-yn-1-one (54012-23-6) → [3,5-bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone (267668-44-0)

Guidance literature:

dmap; acetylacetone; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1055/s-2007-967997

Reference yield: 71.0%

(Z)-3-chloro-3-(4-fluorophenyl)acrylaldehyde (161891-29-8) → [3,5-bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone (267668-44-0)

Guidance literature:

With diethylamine; In tetrahydrofuran; for 4h; Heating;

DOI:10.1016/S0040-4039(02)01967-6

upstream raw materials:

(Z)-3-chloro-3-(4-fluorophenyl)acrylaldehyde

1-(4-fluorophenyl)prop-2-yn-1-one

fluorobenzene

1,3,5-benzene tris(carbonyl chloride)

Downstream raw materials:

[3,5-bis-(4-hydroxy-benzoyl)-phenyl]-(4-hydroxy-phenyl)-methanone

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