≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
tBuXPhos 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. tBuXPhos 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.
Product class
M-P, Homogeneous Catalysts, M-N, Buchwald Catalyst, Buchwald Catalyst 3rd Generation, Amino Ligands, Ferrocenyl Ligands - Achiral
Reaction type
Cross Coupling Reactions with Arenes, Amination, Buchwald-Hartwig Aminaton, Suzuki-Miyaura Coupling Reaction
| Pubchem Sid | 504772617 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772617 |
| Canonical Smiles | CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd] |
| IUPAC Name | ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline |
| InChIKey | IKNBBVYTGIKLPA-UHFFFAOYSA-N |
| INCHI | 1S/C29H45P.C12H10N.CH4O3S.Pd/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;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h13-21H,1-12H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;; |
| Isomeric SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd] |
| PubChem CID | 90645613 |
| Molecular Weight | 794.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Aniline and substituted anilines Primary aromatic amines Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Organic phosphines and derivatives Organic transition metal salts Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic anions |
| Molecular Framework | Not available |
| Substituents | Biphenyl - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Aniline or substituted anilines - Primary aromatic amine - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Phosphine - Organic transition metal salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary amine - Organosulfur compound - Organophosphorus compound - Organonitrogen compound - Amine - Organic anion - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2309539 | Certificate of Analysis | May 12, 2025 | I167321 |
| H2309618 | Certificate of Analysis | May 12, 2025 | I167321 |
| H2309621 | Certificate of Analysis | May 12, 2025 | I167321 |
| H2309624 | Certificate of Analysis | May 12, 2025 | I167321 |
| H2309625 | Certificate of Analysis | May 12, 2025 | I167321 |
| H2309631 | Certificate of Analysis | May 12, 2025 | I167321 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 130-140 °C |
| Molecular Weight | 795.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 794.299 Da |
| Monoisotopic Mass | 794.299 Da |
| Topological Polar Surface Area | 88.800 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | -1 |
| Complexity | 934.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 4 |
