ACETYLACETONATOBIS(CYCLOOCTENE)RHODIUM (I)

: CAS No.: 34767-55-0; Molecular Weight：422.41; Modify Date.: 2023-03-13 11:30

1. Names and Identifiers

: 1.1 Name; ACETYLACETONATOBIS(CYCLOOCTENE)RHODIUM (I); 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. Safety and Handling

4. Other Information

4.0 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.

5. Computational chemical data

Molecular Weight: 422.41g/mol
Molecular Formula: C₂₁H₃₅O₂Rh₄*
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 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==