Chloro(1,5-cyclooctadiene)methylpalladium(II)

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Catalog Number
ACM63936856
Product Name
Chloro(1,5-cyclooctadiene)methylpalladium(II)
Structure
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CAS
63936-85-6
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Synonyms
Carbanide,chloropalladium(1+),(1Z,5Z)-cycloocta-1,5-diene
IUPAC Name
carbanide;chloropalladium(1+);(1Z,5Z)-cycloocta-1,5-diene;
Molecular Weight
265.09
Molecular Formula
C9H15ClPd
Canonical SMILES
[CH3-].C1CC=CCCC=C1.Cl[Pd+]
InChI
InChI=1S/C8H12.CH3.ClH.Pd/c1-2-4-6-8-7-5-3-1;/h1-2,7-8H,3-6H2;1H3;1H;/q;-1;+2/p-1/b2-1-,8-7-;
InChI Key
JRDZAJXSFXHJHS-PHFPKPIQSA-M
Melting Point
124-129 °C
Purity
98%
Appearance
Light grey powder
Complexity
77.4
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
2
Exact Mass
263.98971
H-Bond Acceptor
1
Heavy Atom Count
11
Isomeric SMILES
[CH3-].C1/C=C\CC/C=C\C1.Cl[Pd+]
Monoisotopic Mass
263.98971
Rotatable Bond Count
0
Topological Polar Surface Area
0 Ų
Application
Chloro(1,5-cyclooctadiene)methylpalladium(II) serves as a catalyst with versatile applications in various chemical reactions. Its primary purpose is to facilitate addition polymerization reactions, enabling the formation of polymers by adding monomer units. Additionally, it is instrumental in double carbonylation processes, where it helps incorporate two carbonyl groups into a substrate. Its role extends to cyclization reactions, offering a means to form cyclic compounds effectively. Furthermore, this compound is crucial in cyclometalation, assisting in the formation of metal-carbon bonds within organic molecules, thereby promoting complex molecular transformations.
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