(1,10-Phenanthroline)(trifluoromethyl)(triphenylphosphine)copper(I) - CAS 1334890-93-5
Catalog: |
BB056755 |
Product Name: |
(1,10-Phenanthroline)(trifluoromethyl)(triphenylphosphine)copper(I) |
CAS: |
1334890-93-5 |
Synonyms: |
Copper, (1,10-phenanthroline-κN1,κN10)(trifluoromethyl)(triphenylphosphine)-, (T-4)-; (T-4)-(1,10-Phenanthroline-κN1,κN10)(trifluoromethyl)(triphenylphosphine)copper |
IUPAC Name: | copper(1+)1,10-phenanthrolinetrifluoromethanetriphenylphosphane |
Description: | (1,10-Phenanthroline)(trifluoromethyl)(triphenylphosphine)copper(I) (CAS# 1334890-93-5) is an air-stable Cu(I) trifluoromethylating reagent used for trifluoromethylation of aryl iodides. |
Molecular Weight: | 575.04 |
Molecular Formula: | C31H23CuF3N2P |
Canonical SMILES: | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[C-](F)(F)F.[Cu+] |
InChI: | InChI=1S/C18H15P.C12H8N2.CF3.Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-181-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-12-1(3)4/h1-15H1-8H/q-1+1 |
InChI Key: | AKGOGTMOALVICI-UHFFFAOYSA-N |
Purity: | ≥95% |
Solubility: | Soluble in Acetone (Very Slightly) |
Appearance: | Light Yellow to Brown Powder to Crystal |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
References: | Roman, D S. e-EROS Encyclopedia of Reagents for Organic Synthesis (2014).. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2678302-A1 | Process to obtain a trifluoromethylating composition | 20110225 |
EP-2678302-B1 | Process to obtain a trifluoromethylating composition | 20110225 |
US-2014235866-A1 | Process to Obtain a Trifluoromethylating Composition | 20110225 |
US-9676795-B2 | Process to obtain a trifluoromethylating composition | 20110225 |
WO-2012113726-A1 | Process to obtain a trifluoromethylating composition | 20110225 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 574.084692 |
Formal Charge: | 0 |
Heavy Atom Count: | 38 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 574.084692 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 25.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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