CAS 16971-33-8 Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)

Synonyms

Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II);16971-33-8;MFCD00049804;Ru(CO)ClH[P(C6H5)3]3;[(C6H5)3P]3Ru(CO)(Cl)H;AKOS024258164;

IUPAC Name

chloro(hydrido)ruthenium;formaldehyde;triphenylphosphane;

Molecular Weight

952.41

Molecular Formula

C55H46ClOP3Ru

Canonical SMILES

C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[RuH];

InChI

InChI=1S/3C18H15P.CH₂O.ClH.Ru.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;;/h3*1-15H;1H2;1H;;/q;;;;;+1;/p-1;

InChI Key

IOCHTJOKPQTFJY-UHFFFAOYSA-M;

Purity

Metal purity 99.95

Appearance

beige

Color Form

powder

Complexity

206

Covalently-Bonded Unit Count

EC Number

241-051-0

Empirical Formula

Ru(PPh3)3(CO)(H)Cl

Exact Mass

954.165g/mol

H-Bond Acceptor

Heavy Atom Count

Metal Content

Monoisotopic Mass

954.165g/mol

Rotatable Bond Count

Topological Polar Surface Area

17.1A^2

Application

Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) serves as a versatile catalyst, primarily utilized as a precursor for synthesizing various ruthenium-hydride catalysts. Its applications extend to the hydrogenation of ring-opening metathesis polymers such as norbornene and other cyclic olefin ROMP polymers, which are essential in the production of plastics, resins, and optical materials. It offers an alternative to rhodium-based hydrogenation catalysts and is effective in hydrogenating conjugated diene copolymers like acrylonitrile-butadiene rubber (NBR). Additionally, it acts as a catalyst for alcohol α-allylation with dienes or allenes under transfer hydrogenation conditions and facilitates tandem isomerization to imines followed by Friedel-Crafts alkylation. Moreover, it plays a crucial role in the amination of alcohols with ammonia, highlighting its broad applicability in catalytic processes.

March 10, 2025

Efficient Catalyst for Diverse Applications

Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) from Alfa Chemistry excels in lab settings. It effectively synthesizes Ru-hydride catalysts and facilitates hydrogenation processes in polymer and alcohol research. Reliable and versatile for various catalytic reactions.