[NH2Me2][(RuCl((R)-xylbinap))2(μ-Cl)3]

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Catalog Number
ACM944451085
Product Name
[NH2Me2][(RuCl((R)-xylbinap))2(μ-Cl)3]
Structure
Structure
CAS
944451-08-5
Category
Ruthenium series catalysts
Synonyms
944451-08-5; SC10186; NH2ME2][(RUCL((S)-XYLBINAP))2(MU-CL)3; Dimethylammonium dichlorotri(|I-chloro)bis[(R)-(+)-2,2 inverted exclamation marka-bis[di(3,5-xylyl)phosphino]-1,1 inverted exclamation marka-binaphthyl]diruthenate(II); Dimethylammonium dichlorotri(mu-chloro)bis{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}diruthenate(II), [NH2Me2][{RuCl((R)-xylbinap)}2(mu-Cl)3]; DIMETHYLAMMONIUM DICHLOROTRI(MU-CHLORO)BIS[(R)-(+)-2,2'-BIS[DI(3,5-XYLYL)PHOSPHINO]-1,1'-BINAPHTHYL]DIRUTHENATE(II); DIMETHYLAMMONIUM DICHLOROTRI(MU-CHLORO)BIS[(S)-(-)-2,2'-BIS[DI(3,5-XYLYL)PHOSPHINO]-1,1'-BINAPHTHYL]DIRUTHENATE(II); (S)-[(RUCL(DM-BINAP))2(MU-CL)3][NH2ME2];
IUPAC Name
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride;
Molecular Weight
1898.314g/mol
Molecular Formula
C106H107Cl5NP4Ru2+;
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.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.CNC.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru];
InChI
InChI=1S/2C52H48P2.C2H7N.5ClH.2Ru/c2*1-33-21-34(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;1-3-2;;;;;;;/h2*9-32H,1-8H3;3H,1-2H3;5*1H;;/q;;;;;;;;;+2/p-1;
InChI Key
LJSDQAUPXVWQNF-UHFFFAOYSA-M;
Application
Catalyst system for asymmetric hydrogenation.
Storage
2-8°C
Complexity
1010
Covalently-Bonded Unit Count
7
Exact Mass
1901.39g/mol
Formal Charge
1
H-Bond Acceptor
3
H-Bond Donor
5
Heavy Atom Count
118
Monoisotopic Mass
1896.388g/mol
Rotatable Bond Count
14
Topological Polar Surface Area
12A^2
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