ZINC;1,2,3,4,5-pentafluorobenzene-6-ide

Base Information

• Chemical Name: ZINC;1,2,3,4,5-pentafluorobenzene-6-ide
• CAS No.: 1799-90-2
• Molecular Formula: C12F10 Zn
• Molecular Weight: 399.506
• Hs Code.: 29319000
• DSSTox Substance ID: DTXSID80393028
• Mol file: 1799-90-2.mol

Synonyms:zinc;1,2,3,4,5-pentafluorobenzene-6-ide;DTXSID80393028

Chemical Property of ZINC;1,2,3,4,5-pentafluorobenzene-6-ide

Chemical Property:

• Vapor Pressure: 77.3mmHg at 25°C
• Melting Point: 100-105 °C(lit.)
• Boiling Point: 85.5°C at 760 mmHg
• Flash Point: 13.9°C
• PSA: 0.00000
• LogP: 5.91310
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 397.913173
• Heavy Atom Count: 23
• Complexity: 256

Purity/Quality:

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

Bis(pentafluorophenyl)zinc 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Zn+2]

Technology Process of ZINC;1,2,3,4,5-pentafluorobenzene-6-ide

There total 13 articles about ZINC;1,2,3,4,5-pentafluorobenzene-6-ide 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: 80.0%

zinc pentafluorobenzoate (15967-65-4) → bis(pentafluorophenyl)zinc (1799-90-2)

Guidance literature:

at 330 ℃; for 1h; Sublimation;

Reference yield: 27.0%

2,3,4,5,6-pentafluorophenylmagnesium bromide (879-05-0) + zinc(II) chloride (7646-85-7,24359-56-6) → bis(pentafluorophenyl)zinc (1799-90-2)

Guidance literature:

2,3,4,5,6-pentafluorophenylmagnesium bromide; zinc(II) chloride; With n-butyllithium; In diethyl ether; at -15 - 20 ℃; for 12h; Schlenk technique; Inert atmosphere;

In toluene; at 85 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201805758

Reference yield:

tris(pentafluorophenyl)borate (1109-15-5) + dimethyl zinc(II) (544-97-8) → dimethylpentafluorophenylborane (363596-54-7) + trimethylborane (593-90-8) + bis(pentafluorophenyl)zinc (1799-90-2)

Guidance literature:

In ⁽²⁾H₈-toluene; not isolated, identified by NMR;

DOI:10.1021/om0103557

upstream raw materials:

Bromo-bis-(pentafluorphenyl)-thallium(III)

zinc

tris(pentafluorophenyl)borate

diethylzinc

Downstream raw materials:

tris(pentafluorophenyl)gallium

pentafluorphenylbrom(V)tetrafluorid

Refernces

• 1、 -. "METHOD OF PRODUCING 2,3,4,5,6-PENTAFLUOROSTYRENE". Paragraph 0029; 0030. . Retrieved 2022/01/04.
• 2、 Kurauchi, Daisuke,Hirano, Keiichi,Kato, Hisano,Saito, Tatsuo,Miyamoto, Kazunori,Uchiyama, Masanobu. "Dialkylzinc-mediated allylic polyfluoroarylation reaction". . p. 5849 - 5857. Retrieved 2015/08/03.