Bis(pentafluorophenyl)ethane-1,2-dione

Base Information

• Chemical Name: Bis(pentafluorophenyl)ethane-1,2-dione
• CAS No.: 19555-07-8
• Molecular Formula: C14F10O2
• Molecular Weight: 390.137
• DSSTox Substance ID: DTXSID30572568
• Nikkaji Number: J1.220.211C
• Wikidata: Q82460954
• Mol file: 19555-07-8.mol

Synonyms:19555-07-8;decafluorobenzil;Bis(pentafluorophenyl)ethane-1,2-dione;SCHEMBL8175703;DTXSID30572568;1,2-Bis(perfluorophenyl)ethane-1,2-dione

Chemical Property of Bis(pentafluorophenyl)ethane-1,2-dione

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 389.97386086
• Heavy Atom Count: 26
• Complexity: 482

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of Bis(pentafluorophenyl)ethane-1,2-dione

There total 6 articles about Bis(pentafluorophenyl)ethane-1,2-dione 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: 38.0%

pentafluorophenyl lithium (1076-44-4) + oxalic acid diethyl ester (95-92-1) → (pentafluoro phenyl) glyoxylic acid ethyl ester (38442-37-4) + Decafluorobenzil (19555-07-8)

Guidance literature:

reaction at -78°C, 3 hours, addition of C6H5Li and stirring for 36 hours;;

DOI:10.1039/P19720002464

Reference yield: 5.0%

(pentafluoro phenyl) glyoxylic acid methyl ester (38449-80-8) + pentafluorophenyl lithium (1076-44-4) → Methyl-decafluorbenzilat (38449-79-5) + Decafluorobenzil (19555-07-8)

Guidance literature:

With hydrogenchloride; In diethyl ether; hexane; reaction at -78°C, 3 hours, addition of gaseous HCl (hydrolysis);;

DOI:10.1039/P19720002464

Reference yield:

pentafluorophenyl lithium (1076-44-4) → Decafluorobenzil (19555-07-8)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether; hexane

2: HCl / diethyl ether; hexane

With HCl; In diethyl ether; hexane;

upstream raw materials:

bis-trifluoromethyl-aminooxyl

1,2-bis(pentafluorophenyl)acetylene

oxalyl dichloride

pentafluorophenyl lithium

Downstream raw materials:

2,2-di-(perfluoro phenyl) 3-oxo 4,5,6,7-tetrafluoro dihydrocumarone

di-(pentafluoro phenyl) (perfluoro benzoyl) methanol

bis(pentafluorophenyl)-methanone