Methanesulfonato[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene][2'-amino-1,1'-biphenyl]palladium(II) dichloromethane adduct, min. 98% [Xantphos Palladacycle Gen. 3]

• CAS: 1445085-97-1
• Catalog Number: ACM1445085971
• Category: Organic Phosphine Compounds
• Molecular Weight: 949.371g/mol
• Molecular Formula: C52H46NO4P2PdS-
• Synonyms: XANTPHOS PD G3;1445085-97-1;Methanesulfonato[4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene](2'-amino-1,1'-biphenyl-2-yl)palladium(II);XantPhos Pd G3, 95%;KS-00000SRJ;MFCD22572675;AK164245
• IUPAC Name: (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;methanesulfonic acid;palladium;2-phenylaniline
• Canonical SMILES: CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
• InChI: InChI=1S/C39H32OP2.C12H10N.CH4O3S.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h3-28H,1-2H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1
• InChI Key: JIMOHYWEUIAPAA-UHFFFAOYSA-N
• Application: Catalyst for the Negishi coupling of aryl halides and alkylzinc reagents.; ; Catalyst for the synthesis of tetraacetylated p-tolyl thioglucose.; ; Cooperative catalyst for the direct asymmetric α-allylation of acyclic esters.
• Complexity: 1180
• Covalently-Bonded Unit Count: 4
• Exact Mass: 948.166g/mol
• Formal Charge: -1
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 61
• Monoisotopic Mass: 948.166g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 98A^2