bromo(2,5-dioxopyrrolidin-1-yl)palladium; bis(triphenylphosphane)

• ChemBase ID: 142096
• Molecular Formular: C40H34BrNO2P2Pd
• Molecular Mass: 808.974982
• Monoisotopic Mass: 807.02830059
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.C1CC(=O)N(C1=O)[Pd]Br
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Br[Pd]N1C(=O)CCC1=O
• InChI: InChI=1S/2C18H15P.C4H5NO2.BrH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-3-1-2-4(7)5-3;;/h2*1-15H;1-2H2,(H,5,6,7);1H;/q;;;;+2/p-2
• InChIKey: KYQYWUJRFOCJEW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2,5-dioxopyrrolidin-1-yl)palladium; bis(triphenylphosphane)
• IUPAC Traditional name: bromo(2,5-dioxopyrrolidin-1-yl)palladium; bis(triphenylphosphine)
• Synonyms: [Pd(NCOC2H4CO)(PPh3)2Br]; Bromobis(triphenylphosphine)(N-succinimide)palladium(II); trans-Bromo(N-succinimidyl)bis(triphenylphosphine)palladium(II); 溴双(三苯基膦)(N-琥珀酰亚胺)钯(II); 反式-溴(N-琥珀酰亚胺基)双(三苯基膦)钯(II)

Database IDs

• CAS Number: 251567-28-9
• MDL Number: MFCD06411335
• PubChem SID: 162236327; 24883292
• PubChem CID: 11434313

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 223-228 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C40H34BrNO2P2Pd

DETAILS

Sigma Aldrich - 643742

Application
Catalyst for C-C bond formation, e.g. Stille coupling reaction and Suzuki coupling.
Packaging
1 g in glass bottle