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

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Catalog Number
ACM944451109
Product Name
[NH2Me2][(RuCl((S)-xylbinap))2(μ-Cl)3]
Structure
Structure
CAS
944451-10-9
Category
Ruthenium series catalysts
Synonyms
N-methylmethanamine; hydrochloride; 944451-10-9; [NH2Me2][{RuCl((S)-xylbinap)}2(micro-Cl)3]; trichloronioruthenium(1-); Dimethylammonium dichlorotri(mu-chloro)bis{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}diruthenate(II);
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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