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Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)

Catalog Number
ACM16971338
Product Name
Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)
Structure
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CAS
16971-33-8
  • Product Overview
  • Usage
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
5
EC Number
241-051-0
Empirical Formula
Ru(PPh3)3(CO)(H)Cl
Exact Mass
954.165g/mol
H-Bond Acceptor
1
Heavy Atom Count
61
Metal Content
11
Monoisotopic Mass
954.165g/mol
Rotatable Bond Count
9
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.
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