Diacetato[(S)-(-)-2,2'-bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl]ruthenium(II) Ru(OAc)2[(S)-H8-binap]

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Catalog Number
ACM142962956
Product Name
Diacetato[(S)-(-)-2,2'-bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl]ruthenium(II) Ru(OAc)2[(S)-H8-binap]
Structure
Structure
CAS
142962-95-6
Category
Ruthenium series catalysts
Synonyms
Diacetato[(R)-(+)-2,2'-bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl]ruthenium(II), Ru(OAc)2[(R)-H8-binap]; Diacetato[(R)-2,2 inverted exclamation marka-bis(diphenylphosphino)-5,5 inverted exclamation marka,6,6 inverted exclamation marka,7,7 inverted exclamation marka,8,8 inverted exclamation marka-octahydro-1,1 inverted exclamation marka-binaphthyl]ruthenium(II); 142962-95-6; DIACETATO[(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-5,5',6,6',7,7',8,8'-OCTAHYDRO-1,1'-BINAPHTHY]RUTHENIUM(II); 374067-51-3; Diacetato[(S)-(-)-2,2 inverted exclamation marka-bis(diphenylphosphino)-5,5 inverted exclamation marka,6,6 inverted exclamation marka,7,7 inverted exclamation marka,8,8 inverted exclamation marka-octahydro-1,1 inverted exclamation marka-binaphthyl]ruthenium(II); (R)-Ru(OAc)2(H8-BINAP);
IUPAC Name
acetic acid;[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;ruthenium;
Molecular Weight
851.926g/mol
Molecular Formula
C48H48O4P2Ru;
Canonical SMILES
CC(=O)O.CC(=O)O.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.[Ru];
InChI
InChI=1S/C44H40P2.2C2H4O2.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;2*1-2(3)4;/h1-12,19-26,29-32H,13-18,27-28H2;2*1H3,(H,3,4);;
InChI Key
BWYPLACAJUYPKL-UHFFFAOYSA-N;
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
875
Covalently-Bonded Unit Count
4
Exact Mass
852.207g/mol
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
55
Monoisotopic Mass
852.207g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
74.6A^2
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