tBuXPhos
| Empirical Formula (Hill Notation): | C29H45P |
| CAS Number: | 564483-19-8 |
| Molecular Weight: | 424.64 |
| MDL number: | MFCD06411306 |
| PubChem Substance ID: | 24882908 |
| Кат. номер |
| 638080-5G |
| 638080-500G |
| 638080-25G |
| 638080-100G |
| 638080-1G |
tBuXPhos
[2-Di-
tert-butylphosphino-2,4,6-triisopropylbiphenyl] is an air-stable, electron-rich biaryl phosphine ligand developed by the Buchwald group to enhance the reactivity of palladium catalysis during cross-coupling reactions.
tBuXPhos is a ligand for Pd-catalyzed C-O and C-N bond formation.
It can be used in the following reactions:
- Palladium-catalyzed Tsuji-Trost substitution and cross-coupling of benzylic fluorides.
- Palladium-catalyzed C-N cross-coupling of sulfinamides and aryl halides.
- Palladium-catalyzed rapid methoxylation and deuteriomethoxylation of bromo-chalcones.
tBuXPhos has been used in the preparation of [
tBuXPhosAu(MeCN)]BAr4F, a gold catalyst for the intermolecular [2+2] cycloaddition of terminal arylalkynes with substituted alkenes to form functionalized cyclobutenes with high regioselectivity.
1, 5, 25, 100, 500 g in glass bottle
Usage subject to Patents: EP 1097158; JP 5758844; CA 2336691
| Quality Level | 300, |
| assay | 98% |
| reaction suitability | reaction type: Cross Couplings, reagent type: ligand reaction type: Arylations, reagent type: ligand reaction type: Buchwald-Hartwig Cross Coupling Reaction, reagent type: ligand reaction type: Carboxylations, reagent type: ligand reaction type: Decarboxylations |
| greener alternative product score | old score: 12 new score: 1 Find out more about DOZN™ Scoring, |
| greener alternative product characteristics | Atom Economy Design for Energy Efficiency Use of Renewable Feedstocks Learn more about the Principles of Green Chemistry,. |
| mp | 148-151 °C (lit.) |
| functional group | phosphine |
| greener alternative category | Re-engineered, |
| SMILES string | CC(C)c1cc(C(C)C)c(c(c1)C(C)C)-c2ccccc2P(C(C)(C)C)C(C)(C)C |
| InChI | 1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3 |
| InChI key | SACNIGZYDTUHKB-UHFFFAOYSA-N |
| Personal Protective Equipment | Eyeshields,, Gloves,, type N95 (US), |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point F | Not applicable |
| Flash Point C | Not applicable |