704954

XPhos Pd G1

• Synonym(s): (2-Dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2-aminoethyl)phenyl)]palladium(II) chloride, (XPhos) palladium(II) phenethylamine chloride, Chloro(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2-aminoethyl)phenyl)]palladium(II), XPhos Palladacycle, XPhos precatalyst
• Empirical Formula (Hill Notation): C₄₁H₅₉ClNPPd
• CAS Number: 1028206-56-5
• Molecular Weight: 738.76
• MDL number: MFCD13194128
• UNSPSC Code: 12161600
• PubChem Substance ID: 329762494
• NACRES: NA.22

Properties

• form: solid
• Quality Level: 100
• feature: generation 1
• reaction suitability: core: palladium; reaction type: Buchwald-Hartwig Cross Coupling Reaction; reaction type: Heck Reaction; reaction type: Hiyama Coupling; reaction type: Negishi Coupling; reaction type: Sonogashira Coupling; reaction type: Stille Coupling; reaction type: Suzuki-Miyaura Coupling; reagent type: catalyst; reaction type: Cross Couplings
• mp: 205-210 °C
• functional group: phosphine
• SMILES string: NCCc1ccccc1[Pd]Cl.CC(C)c2cc(C(C)C)c(c(c2)C(C)C)-c3ccccc3P(C4CCCCC4)C5CCCCC5
• InChI: 1S/C33H49P.C8H10N.ClH.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;9-7-6-8-4-2-1-3-5-8;;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-4H,6-7,9H2;1H;/q;;;+1/p-1
• InChI key: HTAJCNQBAFZEJO-UHFFFAOYSA-M

Description

General description

Material may contain up to 5% pentane

Application

Application Guide for Palladium Catalyzed Cross-Coupling Reactions

Catalyst used for:

• Amination / cyclization reactions
• C-N bond-forming reactions via packed-bed microreactors
• Boration of aryl chlorides
• Arylation of oxazole
• Cross-coupling reactions

Legal Information

Usage subject to US Patents 6307087 and 6395916.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335,H412
• pcodes: P261 - P264 - P271 - P273 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• ppe: dust mask type N95 (US), Eyeshields, Gloves