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Tris(triphenylphosphine)(trifluoromethyl)copper(I), 99%
Catalog Number
ACM325810079
Product Name
Tris(triphenylphosphine)(trifluoromethyl)copper(I), 99%
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/325810-07-9.gif)
CAS
325810-07-9
Synonyms
325810-07-9;(Trifluoromethyl)tris(triphenylphosphine)copper(I);Tris(triphenylphosphine)(trifluoromethyl)copper(I);MFCD22200540;(Trifluoromethyl)tris(triphenylphosphine)copper;
IUPAC Name
copper(1+);trifluoromethane;triphenylphosphane;
Molecular Weight
919.427g/mol
Molecular Formula
C55H45CuF3P3;
Canonical SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-](F)(F)F.[Cu+];
InChI
InChI=1S/3C18H15P.CF3.Cu/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3)4;/h3*1-15H;;/q;;;-1;+1;
InChI Key
ADEZRALRKPUAPZ-UHFFFAOYSA-N;
Complexity
213
Covalently-Bonded Unit Count
5
Exact Mass
918.198g/mol
H-Bond Acceptor
4
Heavy Atom Count
62
Monoisotopic Mass
918.198g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
0A^2
Application
Tris(triphenylphosphine)(trifluoromethyl)copper(I), 99%, is designed to facilitate the copper-mediated trifluoromethylation of various substrates, including propargylic and allylic halides as well as trifluoroacetates. This reagent is known for its effective and high-yielding preparation of trifluoromethylaromatics from iodides, making it an essential tool for synthetic chemists working with trifluoromethylated compounds.
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