2,3,4,5,6-Pentafluorobenzophenone

Base Information

• Chemical Name: 2,3,4,5,6-Pentafluorobenzophenone
• CAS No.: 1536-23-8
• Molecular Formula: C13H5F5O
• Molecular Weight: 272.174
• Hs Code.: 29143990
• European Community (EC) Number: 216-258-4
• DSSTox Substance ID: DTXSID20165367
• Nikkaji Number: J206.760I
• Wikidata: Q83034514
• Mol file: 1536-23-8.mol

Synonyms:2,3,4,5,6-Pentafluorobenzophenone;1536-23-8;(Perfluorophenyl)(phenyl)methanone;Pentafluorobenzophenone;(2,3,4,5,6-pentafluorophenyl)-phenylmethanone;Methanone,(2,3,4,5,6-pentafluorophenyl)phenyl-;EINECS 216-258-4;Methanone, (pentafluorophenyl)phenyl-;Benzophenone, 2,3,4,5,6-pentafluoro-;(2,3,4,5,6-Pentafluorophenyl)(phenyl)methanone;(pentafluorophenyl)(phenyl)methanone;C13H5F5O;Benzoylpentafluorobenzene;SCHEMBL1506643;Phenyl(pentafluorophenyl) ketone;DTXSID20165367;C13-H5-F5-O;MFCD00000294;AKOS000118932;PS-10051;FT-0633645;P0924;EN300-21255;D92042;A809448;(2,3,4,5,6-Pentafluorophenyl)(phenyl)methanone #;J-009035

Chemical Property of 2,3,4,5,6-Pentafluorobenzophenone

Chemical Property:

• Appearance/Colour: off-white powder
• Melting Point: 36-39 °C(lit.)
• Boiling Point: 308.1 °C at 760 mmHg
• Flash Point: 131 °C
• PSA: 17.07000
• Density: 1.443 g/cm³
• LogP: 3.61310
• Solubility.: soluble in Methanol
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 272.02605559
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3,4,5,6-Pentafluorobenzophenone ^*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=C(C=C1)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
• Uses: 2,3,4,5,6-Pentafluorobenzophenone is used in preparation method of Fluorinated polymerizable photoinitiator.

Technology Process of 2,3,4,5,6-Pentafluorobenzophenone

There total 33 articles about 2,3,4,5,6-Pentafluorobenzophenone 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: 94.0%

Benzoyl bromide (618-32-6) + Ag(1+)*Cu(1+)*2C6F5(1-) → 2,3,4,5,6-pentafluorobenzophenone (1536-23-8)

Guidance literature:

With propiononitrile; at 20 ℃; for 2h; Reagent/catalyst; Inert atmosphere;

DOI:10.1039/c5dt02925b

Reference yield: 85.0%

2,3,4,5,6-pentafluorobenzoylformic acid (72331-54-5) + phenylboronic acid (98-80-6) → 2,3,4,5,6-pentafluorobenzophenone (1536-23-8)

Guidance literature:

With silver carbonate; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1039/c4ra04361h

Reference yield: 82.0%

benzoyl fluoride (455-32-3) + potassium 2,3,4,5,6-pentafluorobenzoate (58521-27-0) → 2,3,4,5,6-pentafluorobenzophenone (1536-23-8)

Guidance literature:

In 1,4-dioxane; at 140 ℃; for 12h; Temperature; Solvent; Time; Reagent/catalyst; chemoselective reaction; Schlenk technique; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.orglett.0c02215

upstream raw materials:

1,2,3,4,5-pentafluoro-6-iodobenzene

benzoyl chloride

ethyl pentafluorobenzoate

phenyllithium

Downstream raw materials:

2,3,4,5,6-Pentafluoro-α-ethyl-benzhydrol

2,3,4,5-Tetrafluor-6-phenylbenzophenon

di-(pentafluoro phenyl) phenyl methanol

1-(2,3,4,5,6-pentafluorobenzyl)benzene

Refernces

• 1、 Kulkarni,Trapp. "-". . p. 4801,4802,4805,4807. Retrieved 1970.
• 2、 Ma, Zhiming,Ren, Peng,Song, Tao,Xiao, Jianliang,Yang, Yong,Yuan, Youzhu. "A Bifunctional Iron Nanocomposite Catalyst for Efficient Oxidation of Alkenes to Ketones and 1,2-Diketones". . p. 4617 - 4629. Retrieved 2020/05/19.
• 3、 Meng, Mengting,Yang, Liangfeng,Cheng, Kai,Qi, Chenze. "Pd(II)-Catalyzed Denitrogenative and Desulfinative Addition of Arylsulfonyl Hydrazides with Nitriles". . p. 3275 - 3284. Retrieved 2018/03/25.