4,4'-Difluorobenzil

Base Information

• Chemical Name: 4,4'-Difluorobenzil
• CAS No.: 579-39-5
• Molecular Formula: C14H8 F2 O2
• Molecular Weight: 246.213
• Hs Code.: 2914700090
• European Community (EC) Number: 628-355-2
• DSSTox Substance ID: DTXSID3060374
• Nikkaji Number: J534.077B
• Wikidata: Q81989083
• Pharos Ligand ID: BS6YZSNHDYLL
• ChEMBL ID: CHEMBL192410
• Mol file: 579-39-5.mol

Synonyms:4,4'-Difluorobenzil;579-39-5;1,2-bis(4-fluorophenyl)ethane-1,2-dione;4,4'-Difluorodibenzoyl;Ethanedione, bis(4-fluorophenyl)-;C14H8F2O2;4,4'-Difluorobibenzoyl;CHEMBL192410;1,2-Bis(4-fluorophenyl)-1,2-ethanedione;1,2-Ethanedione, 1,2-bis(4-fluorophenyl)-;4,4-Difluorobenzil;difluorobenzil;4,4'difluorobenzil;bis(4-fluorophenyl)ethane-1,2-dione;MFCD00134541;Benzil-based compound, 8;D0DW9J;SCHEMBL716295;4,4'-Difluorobenzil, 98%;bis(4-Fluorophenyl) ethanedione;DTXSID3060374;BDBM22730;C14-H8-F2-O2;AKOS001076199;BP-13427;PS-11065;1,2-bis(4-fluorophenyl)-ethane-1,2-dione;CS-0141519;D2292;FT-0617047;1,2-Bis(4-fluorophenyl)-1,2-ethanedione #;EN300-12758;(E)-1,2-Bis(4-fluorophenyl)ethane-1,2-dione;A831677;SR-01000065846;SR-01000065846-1;Z85921961

Chemical Property of 4,4'-Difluorobenzil

Chemical Property:

• Appearance/Colour: pale yellow powder
• Melting Point: 120-122 °C(lit.)
• Boiling Point: 370.2 °C at 760 mmHg
• Flash Point: 141.5 °C
• PSA: 34.14000
• Density: 1.304 g/cm³
• LogP: 3.03040
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in water.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 246.04923582
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

4,4'-Difluorobenzil >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
• Uses: 4,4′-Difluorobenzil is suitable for use in the preparation of 2,3-bis(4-fluorophenyl)thieno[3,4-b]pyrazine. It may be used in the synthesis of following:poly(ether-α-diketone)s, via nucleophilic substitution reaction with bisphenol A4,4′-difluoro-2,3-diphenylpyrazine (DPPF) and 4,4′-difluoro-5-methyl 2,3-diphenylpyrazine (MDPPF), via direct condensation with ethylenediamine and 1,2-diaminopropane, respectively2,3-bis(4-fluorophenyl)quinoxaline, via direct condensation with 1,2-phenylenediamine

Technology Process of 4,4'-Difluorobenzil

There total 37 articles about 4,4'-Difluorobenzil 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%

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

Guidance literature:

With ammonium nitrate; copper diacetate; acetic acid; for 90h; Heating;

DOI:10.1016/j.bmc.2007.03.012

Reference yield: 89.0%

1,2-bis(4-fluorophenyl)acetylene (5216-31-9) → 1,2-bis(4-fluorophenyl)ethane-1,2-dione (579-39-5)

Guidance literature:

With sodium tetrafluoroborate; formic acid; In water; N,N-dimethyl-formamide; at 20 ℃; Electrochemical reaction;

DOI:10.1039/c9cc03996a

Reference yield: 89.0%

1,2-bis(3,5-difluorophenyl)acetylene (1314234-16-6) → 1,2-bis(4-fluorophenyl)ethane-1,2-dione (579-39-5)

Guidance literature:

With iodine; dimethyl sulfoxide; at 155 ℃; for 14h; Inert atmosphere;

DOI:10.1039/c2cc33892k

upstream raw materials:

α,α,α',α'-tetrachloro-4,4'-difluoro-bibenzyl

1-acetoxy-2,2,2-trichloro-1,1-bis-(4-fluoro-phenyl)-ethane

4-fluorobenzaldehyde

4-methoxy-benzaldehyde

Downstream raw materials:

4,4'-difluoro-benzilic acid

5,6-Bis-(4-fluoro-phenyl)-[1,2,4]triazine-3-carboxylic acid methyl ester

4,5-Bis-(4-fluoro-phenyl)-2-(4-methoxy-benzylsulfanylmethyl)-1H-imidazole

5,5-di-(4-fluorophenyl)-hydantoin

Refernces

• 1、 -. "P-fluorobenzil type oxime ester photoinitiator used for preparing photochromic material as well as preparation method and application thereof". Paragraph 0035-0039. . Retrieved 2021/10/27.
• 2、 Ghanaatzadeh, Niloofar,Hashemi, Hajar,Moghadam, Majid,Niknam, Khodabakhsh,Saberi, Dariush. "Ruthenium/dendrimer complex immobilized on silica-functionalized magnetite nanoparticles catalyzed oxidation of stilbenes to benzil derivatives at room temperature". . . Retrieved 2020/02/13.