Copper, (trifluoromethyl)-

Base Information

• Chemical Name: Copper, (trifluoromethyl)-
• CAS No.: 77152-08-0
• Molecular Formula: CCuF3
• Molecular Weight: 132.552
• DSSTox Substance ID: DTXSID60473377
• Mol file: 77152-08-0.mol

Synonyms:Copper, (trifluoromethyl)-;77152-08-0;DTXSID60473377;WJYJULOBJLLPER-UHFFFAOYSA-N

Chemical Property of Copper, (trifluoromethyl)-

Chemical Property:

• PSA: 0.00000
• LogP: 1.33940
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 131.924807
• Heavy Atom Count: 5
• Complexity: 8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-](F)(F)F.[Cu+]

Technology Process of Copper, (trifluoromethyl)-

There total 2 articles about Copper, (trifluoromethyl)- 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:

trifluoromethanesulfonic acid diphenyl(trifluoromethyl)sulfonium salt (147531-11-1) + phenylboronic acid (98-80-6) → trifluoromethan (75-46-7) + α,α,α-trifluorotoluene (98-08-8) + trifluoromethylcopper(I) (77152-08-0)

Guidance literature:

With potassium fluoride; In N,N-dimethyl-formamide; at 50 ℃; for 14h;

DOI:10.1039/c1cc13460d

Reference yield:

trifluoromethanesulfonic acid diphenyl(trifluoromethyl)sulfonium salt (147531-11-1) + phenylboronic acid (98-80-6) → trifluoromethan (75-46-7) + α,α,α-trifluorotoluene (98-08-8) + C7H5CuF3 + C2CuF6 + CCuF3(1+)*CF3O3S(1-) + CF3O3S(1-)*C7H5CuF3(1+) + trifluoromethylcopper(I) (77152-08-0)

Guidance literature:

With copper; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 50 ℃; for 0.5h;

DOI:10.1039/c1cc13460d

Reference yield: 77.0%

trifluoromethylcopper(I) (77152-08-0) + 2-bromobenzoic-acid (88-65-3) → 2-trifluoromethylbenzoic acid (433-97-6)

Guidance literature:

With triethylamine tris(hydrogen fluoride); In N,N-dimethyl-formamide; at 23 ℃; for 0.25h; Inert atmosphere;

DOI:10.1021/jo401423h

upstream raw materials:

trifluoromethanesulfonic acid diphenyl(trifluoromethyl)sulfonium salt

phenylboronic acid

Downstream raw materials:

tetrakis(trifluoromethyl)thiophene

4,4,4-trifluorobuta-1,2-diene

(3,3,3-trifluoroprop-1-en-1-ylidene)cyclohexane

2,6-bis(trifluoromethyl)phenol