CAS 944451-08-5 [NH2Me2][(RuCl((R)-xylbinap))2(μ-Cl)3]

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;

Storage

2-8°C

Complexity

1010

Covalently-Bonded Unit Count

Exact Mass

1901.39g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

118

Monoisotopic Mass

1896.388g/mol

Rotatable Bond Count

Topological Polar Surface Area

12A^2