BrettPhos Pd G3
Synonym(s):
- CAS NO.：1470372-59-8
- Empirical Formula: C48H66NO5PPdS
- Molecular Weight: 906.51
- MDL number: MFCD22572666
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-18 16:05:02
What is BrettPhos Pd G3?
The Uses of BrettPhos Pd G3
BrettPhos Pd G3 may be used for the C-N coupling reaction between monosubstituted ureas and 1,2 dihaloaromatic system to form benzimidazolones.
It may be used in the synthesis of following compounds:
- [Pd(cinnamyl)(BrettPhos)]OTf by reacting with [(cinnamyl)PdCl]2 and AgOTf.
- [Pd(crotyl)(BrettPhos)]OTf by reacting with [(crotyl)PdCl]2 and AgOTf.
- [Pd(allyl)(BrettPhos)]OTf by reacting with [(allyl)PdCl]2 and AgOTf.
- Pd(allyl)(BrettPhos)Cl by reacting with [(allyl)PdCl]2.
General Description
BrettPhos Pd G3 is a third generation (G3) Buchwald precatalyst. It is air, moisture and thermally-stable and is highly soluble in a wide range of common organic solvents. It has long life in solutions. BrettPhos Pd G3 is an excellent reagent for Buchwald-Hartwig cross-coupling reaction. Some of its unique features include lower catalyst loadings, shorter reaction time, efficient formation of the active catalytic species and accurate control of ligand: palladium ratio.
Properties of BrettPhos Pd G3
| Melting point: | 150-193°C (decomposition) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | Powder |
| color | yellow to beige |
Safety information for BrettPhos Pd G3
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for BrettPhos Pd G3
| InChIKey | ASZHREKEHVNFFW-UHFFFAOYSA-N |
| SMILES | P(C1CCCCC1)(C1CCCCC1)(C1C(=CC=C(OC)C=1C1C(=CC(C(C)C)=CC=1C(C)C)C(C)C)OC)[Pd+2]1(NC2=CC=CC=C2C2=CC=CC=[C-]12)[O-]S(=O)(=O)C |
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