ACETYLACETONATOBIS(CYCLOOCTENE)RHODIUM (I)

1. Names and Identifiers

1.2 Synonyms: (2,4-Pentanedionato)bis(eta2-cyclooctene)rhodium; (Acetylacetonato)bis(cyclooctene)rhodium; 3-Penten-2-one, 4-hydroxy-, (3Z)-, compd. with 1,2-cyclooctanediyl, rhodium salt (1:2:1); Bis(cyclooctene)(2,4-pentanedionato)rhodium; CID 11235539; Rhodium, bis[(1,2-h)-cyclooctene](2,4-pentanedionato-kO2,kO4)-;

1.6 Inchi: InChI=1S/2C8H14.C5H8O2.Rh/c2*1-2-4-6-8-7-5-3-1;1-4(6)3-5(2)7;/h2*1-2H,3-8H2;3,6H,1-2H3;/q;;;+1/p-1/b2*2-1-;4-3-;

2. Properties

3. Computed Properties

Molecular Weight：422.41g/mol
Molecular Formula：C₂₁H₃₅O₂Rh₄*
Compound Is Canonicalized：True
XLogP3-AA：423.17702
Monoisotopic Mass：423.17702
Complexity：147
Rotatable Bond Count：1
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：37.3
Heavy Atom Count：：24
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：4
CACTVS Substructure Key Fingerprint：AAADcfB4MAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAYMAAAAAAAGgAACAAACASAgAACAAAAAgCIAKBSAAAAAAAgIAAACAAAAEgAAAIAAQAAAAAAAAAIAQMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

4.Other Information

Reaction

Rhodium source used in combination with phosphine ligands to catalyze the 1,4-addition of arylboronic acids to α,β-unsaturated carbonyl compounds.
Rhodium source for the catalytic addition of arylboronic acids to N-tert-butanesulfinyl imino esters.