1,2-Bis(4-fluorophenyl)-2-hydroxyethanone

Base Information

• Chemical Name: 1,2-Bis(4-fluorophenyl)-2-hydroxyethanone
• CAS No.: 53458-16-5
• Molecular Formula: C14H10F2O2
• Molecular Weight: 248.229
• Hs Code.: 2914700090
• European Community (EC) Number: 258-565-6
• DSSTox Substance ID: DTXSID10968142
• Nikkaji Number: J295.960G
• ChEMBL ID: CHEMBL244213
• Mol file: 53458-16-5.mol

Synonyms:1,2-bis(4-fluorophenyl)-2-hydroxyethanone;53458-16-5;4,4'-difluorobenzoin;EINECS 258-565-6;CHEMBL244213;1,2-Bis(4-fluorophenyl)-2-hydroxyethan-1-one;SCHEMBL5444935;DTXSID10968142;BDBM50209409;MFCD00055470;DS-3376;2-hydroxy-1,2-bis(4-fluorophenyl)ethanone;1,2 Bis(4-fluorophenyl)-2-hydroxy ethanone;CS-0161861;O10339;1,2-bis-(4-fluorophenyl)-2-hydroxyethan-1-one

Chemical Property of 1,2-Bis(4-fluorophenyl)-2-hydroxyethanone

Chemical Property:

• Vapor Pressure: 2.54E-06mmHg at 25°C
• Melting Point: 74-76 °C
• Refractive Index: 1.575
• Boiling Point: 376 °C at 760 mmHg
• PKA: 11.83±0.20(Predicted)
• Flash Point: 181.2 °C
• PSA: 37.30000
• Density: 1.317 g/cm³
• LogP: 2.88110
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 248.06488588
• Heavy Atom Count: 18
• Complexity: 280

Purity/Quality:

98%Min ^*data from raw suppliers

4,4'-DIFLUOROBENZOIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Bis(4-fluorophenyl)-2-hydroxyethanone

There total 18 articles about 1,2-Bis(4-fluorophenyl)-2-hydroxyethanone 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: 97.0%

1,2-bis(4-fluorophenyl)ethane-1,2-dione (579-39-5) → 1,2-bis(4-fluorophenyl)-2-hydroxyethan-1-one (53458-16-5)

Guidance literature:

With water; zinc trifluoromethanesulfonate; zinc; In 1,4-dioxane; at 90 ℃; for 0.5h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1039/d1ob00155h

Reference yield: 95.0%

4-fluorobenzaldehyde (459-57-4) → 1,2-bis(4-fluorophenyl)-2-hydroxyethan-1-one (53458-16-5)

Guidance literature:

With 3,3'- (dodecane-1,12-diyl)bis(1-methyl-1H-benzo[d]imidazol-3-ium) dibromide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In water; at 20 ℃; for 1.5h;

DOI:10.1039/b719430g

Reference yield: 86.0%

4-fluorobenzaldehyde (459-57-4) → 1,2-bis(4-fluorophenyl)-2-hydroxyethan-1-one (53458-16-5) + 4-fluoro-benzoic acid 1,2-bis-(4-fluoro-phenyl)-2-oxo-ethyl ester

Guidance literature:

With 1-butyl-3-methylimidazolium hydroxide; 1,3-dimethylbenzimidazolium Iodide; at 20 - 80 ℃;

DOI:10.13005/ojc/300303

upstream raw materials:

4,4'-difluorodeoxybenzoin

4-fluorobenzaldehyde

4-methyl-3-oxo-N-phenyl-2-(phenylmethylene)pentanamide

methyl vinyl ketone

Downstream raw materials:

4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrole-3-carboxylic acid ethyl ester

1,2-bis-(4-fluoro-phenyl)-2-hydroxy-pent-4-en-1-one

1,2-bis(4-fliorophenyl)-2-oxoethyl pivalate

1,2-bis(4-fluorophenyl)-2-oxoethyl acetate

Refernces

• 1、 Huang, Sheng,Sheng, Xinyu,Bian, Mianli,Yang, Zhibin,Lu, Yunlong,Liu, Wukun. "Synthesis and in vitro anticancer activities of selenium N-heterocyclic carbene compounds". . p. 435 - 444. Retrieved 2021/07/14.
• 2、 Nicholson, William I.,Seastram, Alex C.,Iqbal, Saqib A.,Reed-Berendt, Benjamin G.,Morrill, Louis C.,Browne, Duncan L.. "N-Heterocyclic Carbene Acyl Anion Organocatalysis by Ball-Milling". . p. 131 - 135. Retrieved 2019/12/11.