tBuXPhos Pd G3 - ≥99.95% metals basis , CAS No.1447963-75-8

CAS: 1447963-75-8 Cat. No.: I294351 Summenformel: C₄₂H₅₉NO₃PPdS Molekulargewicht: 794.37 EG-Nummer: 811-771-5 PubChem CID: 90645613

GRADE & PURITY ≥99.95% metals basis

Synonyms

1447963-75-8|TBUXPHOS PD G3|tBuXPhos-Pd-G3|Methanesulfonato(2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)|ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

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

Chemical properties

Chemical formula

C42H58NO3PPdS

Empirical formula

Pd(tBuXPhos)[2-(2'-amino-1,1'-biphenyl)](Ms)

Molecular weight

794.39

Metal

Pd

Theoretical metal content

13.4

Physical state

powder

Color

light yellow

Metal purity

99.95

Specifications

Synonyme

1447963-75-8 | TBUXPHOS PD G3 | tBuXPhos-Pd-G3 | Methanesulfonato(2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II) | ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;

Spezifikationen & Reinheit

≥99.95% metals basis

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥99.95% metals basis

Namen und Kennungen

Kanonisches Lächeln

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;;

Isomere 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

Molekulargewicht

794.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 130-140 °C
• Molekulargewicht: 795.400 g/mol
• 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

XLogP3

Häufig gestellte Fragen

What does the trace-metals specification mean?

This product is specified at ≥99.95% on a trace-metals basis. That figure describes metallic impurity content rather than overall chemical assay, so it is the relevant specification for ICP-MS, semiconductor and battery applications. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1447963-75-8, the molecular formula is C42H59NO3PPdS, and the molecular weight is 794.37 g/mol. InChIKey IKNBBVYTGIKLPA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.