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251567-28-9 molecular structure
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bromo(2,5-dioxopyrrolidin-1-yl)palladium; bis(triphenylphosphane)

ChemBase ID: 142096
Molecular Formular: C40H34BrNO2P2Pd
Molecular Mass: 808.974982
Monoisotopic Mass: 807.02830059
SMILES and InChIs

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

Cite this record

CBID:142096 http://www.chembase.cn/molecule-142096.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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)
CAS Number
251567-28-9
MDL Number
MFCD06411335
PubChem SID
162236327
24883292
PubChem CID
11434313

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
643742 external link Add to cart Please log in.
Data Source Data ID
PubChem 11434313 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1066  LogD (pH = 7.4) 5.1066 
Log P 5.1066  Molar Refractivity 81.6229 cm3
Polarizability 32.34495 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
223-228 °C (dec.)(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C40H34BrNO2P2Pd expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 643742 external link
Application
Catalyst for C-C bond formation, e.g. Stille coupling reaction and Suzuki coupling.
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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