Chloro[(R)-(+)-2,2'-bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride [RuCl(p-cymene)((R)-H8-binap)]Cl

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Catalog Number
ACM944451267
Product Name
Chloro[(R)-(+)-2,2'-bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride [RuCl(p-cymene)((R)-H8-binap)]Cl
Structure
Structure
CAS
944451-26-7
Category
Ruthenium series catalysts
Synonyms
(R)-RUCL[P-CYMENE(H8-BINAP)]CL; [RUCL(P-CYMENE)((S)-H8-BINAP)]CL; SC10137; MFCD09753016; CHLORO[(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-5,5',6,6',7,7',8,8'-OCTAHYDRO-1,1'-BINAPHTHYL](P-CYMENE)RUTHENIUM(II) CHLORIDE; [RUCL(P-CYMENE)((R)-H8-BINAP)]CL;
IUPAC Name
dichlororuthenium;[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;
Molecular Weight
936.944g/mol
Molecular Formula
C54H54Cl2P2Ru;
Canonical SMILES
CC1=CC=C(C=C1)C(C)C.C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)P(C5=CC=CC=C5)C6=CC=CC=C6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl;
InChI
InChI=1S/C44H40P2.C10H14.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-8(2)10-6-4-9(3)5-7-10;;;/h1-12,19-26,29-32H,13-18,27-28H2;4-8H,1-3H3;2*1H;/q;;;;+2/p-2;
InChI Key
RDVYAXZMACLMGN-UHFFFAOYSA-L;
Application
Biaryl bisphosphine ligand. The H8-BINAP ligand, as the ruthenium complex, catalyzes hydrogenation of unsaturated carboxylic acids to a higher ee than does BINAP.

The ruthenium catalyzed hydrogenation of aryl propenoic acid to produce the drug Ibuprofen.
Storage
2-8°C
Complexity
886
Covalently-Bonded Unit Count
3
Exact Mass
936.212g/mol
Heavy Atom Count
59
Monoisotopic Mass
936.212g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
0A^2
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