1-(2',4'-Difluoro(1,1'-biphenyl)-4-yl)ethan-1-one

Base Information

• Chemical Name: 1-(2',4'-Difluoro(1,1'-biphenyl)-4-yl)ethan-1-one
• CAS No.: 53591-79-0
• Molecular Formula: C14H10 F2 O
• Molecular Weight: 232.23
• Hs Code.: 2914700090
• European Community (EC) Number: 258-653-4
• UNII: I6OVJ9PJW3
• DSSTox Substance ID: DTXSID30201806
• Nikkaji Number: J295.999B
• Wikidata: Q83075026
• Mol file: 53591-79-0.mol

Synonyms:53591-79-0;4-(2,4-Difluorophenyl)acetophenone;1-(2',4'-Difluoro(1,1'-biphenyl)-4-yl)ethan-1-one;1-[4-(2,4-difluorophenyl)phenyl]ethanone;1-(2',4'-Difluoro[1,1'-biphenyl]-4-yl)ethan-1-one;EINECS 258-653-4;I6OVJ9PJW3;1-(2',4'-Difluoro[1,1'-Biphenyl]-4-ylEthan-1-One;Ethanone, 1-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-;C14H10F2O;1-(2',4'-DIFLUOROBIPHENYL-4-YL)ETHANONE;UNII-I6OVJ9PJW3;SCHEMBL10436026;2,4-Difluoro-4'-acetylbiphenyl;DTXSID30201806;4-acetyl-2',4'-difluorobiphenyl;MFCD09907800;CS-0193552;E90307;1-(4-(2,4-DIFLUOROPHENYL)PHENYL)ETHAN-1-ONE;1-{2',4'-difluoro-[1,1'-biphenyl]-4-yl}ethan-1-one

Chemical Property of 1-(2',4'-Difluoro(1,1'-biphenyl)-4-yl)ethan-1-one

Chemical Property:

• Boiling Point: 311.8°Cat760mmHg
• Flash Point: 119.6°C
• PSA: 17.07000
• Density: 1.192g/cm³
• LogP: 3.83440
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.06997126
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

1-(2',4'-DIFLUOROBIPHENYL-4-YL)ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2',4'-Difluoro(1,1'-biphenyl)-4-yl)ethan-1-one

There total 7 articles about 1-(2',4'-Difluoro(1,1'-biphenyl)-4-yl)ethan-1-one 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%

para-bromoacetophenone (99-90-1) + 2,4-difluorophenylboronic acid (144025-03-6) → 1-(2',4'difluoro[1,1']biphenyl-4-yl)ethanone (53591-79-0)

Guidance literature:

With C₂₀H₁₂N₂O₈PdS₂^(2-)*2Na⁽¹⁺⁾; sodium hydroxide; In water; at 100 ℃; for 6h;

DOI:10.1016/j.tet.2015.08.070

Reference yield: 82.0%

para-chloroacetophenone (99-91-2) + 2,4-difluorophenylboronic acid (144025-03-6) → 1-(2',4'difluoro[1,1']biphenyl-4-yl)ethanone (53591-79-0)

Guidance literature:

With dichlorobis(dibenzyl diisopropylphosphoramidite)palladium; sodium acetate; In 1-methyl-pyrrolidin-2-one; water; at 140 ℃; for 17h;

DOI:10.14233/ajchem.2013.14527

Reference yield:

2,4-difluorobiphenyl (37847-52-2) + sodium carbonate (497-19-8) → 1-(2',4'difluoro[1,1']biphenyl-4-yl)ethanone (53591-79-0)

Guidance literature:

With acetic anhydride; aluminium trichloride; In dichloromethane; water;

upstream raw materials:

2,4-difluorobiphenyl

acetic anhydride

para-bromoacetophenone

2,4-difluorophenylboronic acid

Downstream raw materials:

4-(2,4-difluorophenyl)phenyl acetate

(-)-4-(2',4'-difluoro-[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid

Refernces

• 1、 Ramakrishna,Dastagiri Reddy. "Synthesis of zwitterionic palladium complexes and their application as catalysts in cross-coupling reactions of aryl, heteroaryl and benzyl bromides with organoboron reagents in neat water". supporting information. p. 8598 - 8610. Retrieved 2017/07/12.
• 2、 Guo, Mengping,Wu, Xiaochun,Ge, Junying,Zhu, Zhiyong. "Dichlorobis(dibenzyl diisopropylphosphoramidite)palladium-catalyzed suzuki coupling of aryl chlorides in n-methyl pyrrolidone under aerobic conditions". . p. 7251 - 7253. Retrieved 2013/08/23.