Diacetato{(S)-(-)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}ruthenium(II) Ru(OAc)2[(S)-xylbinap]

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Catalog Number
ACM374067499
Product Name
Diacetato{(S)-(-)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}ruthenium(II) Ru(OAc)2[(S)-xylbinap]
Structure
Structure
CAS
374067-49-9
Category
Ruthenium series catalysts
Synonyms
C56H54O4P2Ru; Diacetato[(R)-2,2 inverted exclamation marka-bis[di(3,5-xylyl)phosphino]-1,1 inverted exclamation marka-binaphtyl]ruthenium(II); MFCD09753022; 374067-49-9; (S)-Ru(OAc)2(DM-BINAP); Diacetato{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}ruthenium(II), Ru(OAc)2[(R)-xylbinap]; DIACETATO[(S)-(-)-2,2'-BIS[DI(3,5-XYLYL)PHOSPHINO]-1,1'-BINAPHTHYL]RUTHENIUM(II); 374067-50-2; RU(OAC)2[(R)-XYLBINAP]; RU(OAC)2[(S)-XYLBINAP];
IUPAC Name
acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium;
Molecular Weight
956.078g/mol
Molecular Formula
C56H56O4P2Ru;
Canonical SMILES
CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC(=O)O.CC(=O)O.[Ru];
InChI
InChI=1S/C52H48P2.2C2H4O2.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;2*1-2(3)4;/h9-32H,1-8H3;2*1H3,(H,3,4);;
InChI Key
HDUAMHMUQGCXCT-UHFFFAOYSA-N;
Application
Catalyst system used for asymmetric hydrogenation.
Storage
2-8°C
Complexity
1080
Covalently-Bonded Unit Count
4
Exact Mass
956.27g/mol
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
63
Monoisotopic Mass
956.27g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
74.6A^2
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