CAS 35138-22-8 Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

Synonyms

Bis(cycloocta-1,5-diene)rhodium(I) tetrafluoroborate

IUPAC Name

(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate;

Molecular Weight

406.07

Molecular Formula

C16H24BF4Rh

Canonical SMILES

[B-](F)(F)(F)F.C1CC=CCCC=C1.C1CC=CCCC=C1.[Rh]

InChI

InChI=1S/2C8H12.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;/q;-1;/b2*2-1-,8-7-;

InChI Key

LYXHWHHENVLYCN-QMDOQEJBSA-N

Melting Point

210 °C

Purity

99%

Appearance

Orange red crystalline powder

Storage

Refrigerator (+4°C)

Color Form

powder

Complexity

91.7

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

460-220-1

Empirical Formula

[Rh(cod)2]BF4

Exact Mass

406.09621

Formal Charge

-1

H-Bond Acceptor

Heavy Atom Count

Isomeric SMILES

[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Rh]

Metal Content

Monoisotopic Mass

406.09621

Rotatable Bond Count

Topological Polar Surface Area

0 Å²

Application

Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate serves as a versatile catalyst precursor characterized by its dark red appearance. It plays a crucial role in facilitating various chemical reactions, including hydrogenation and isomerization. This compound is particularly significant for asymmetric hydrogenations, especially when used alongside chiral ligands like (R,R)QuinoxP*. Additionally, it is employed in the creation of cationic COD-Rhodium complexes with phosphine ligands and is instrumental in enantioselective processes such as hydrogenation and hydrosilylation. Moreover, it finds application in [2+2+2] enantioenriched cycloadditions when paired with chiral biaryl bisphosphine ligands.

April 16, 2025

Excellent Catalyst for Asymmetric Reactions

I utilized Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate in enantioselective hydrogenations. Its effectiveness in asymmetric reactions was impressive, significantly enhancing reaction efficiency in our lab experiments. Highly recommended for catalytic applications.