CAS 944451-24-5 [RuCl(p-cymene)((R)-xylbinap)]Cl

Synonyms

CHLORO[(S)-(-)-2,2'-BIS[DI(3,5-XYLYL)PHOSPHINO]-1,1'-BINAPHTHYL](P-CYMENE)RUTHENIUM(II) CHLORIDE; CBZXDZCPCDMKJU-UHFFFAOYSA-L; [RuCl(p-cymene) ((S)-xylbinap)]Cl; Chloro{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}(p-cymene)ruthenium(II) chloride, [RuCl(p-cymene)((R)-xylbinap)]Cl; [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane,dichlororuthenium,1-methyl-4-propan-2-ylbenzene; Chloro{(S)-(-)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}(p-cymene)ruthenium(II) chloride; SC10125; (R)-RuCl[(p-cymene)(DM-BINAP)]Cl;

IUPAC Name

[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene;

Molecular Weight

1041.096g/mol

Molecular Formula

C62H62Cl2P2Ru;

Canonical SMILES

CC1=CC=C(C=C1)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.Cl[Ru]Cl;

InChI

InChI=1S/C52H48P2.C10H14.2ClH.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;1-8(2)10-6-4-9(3)5-7-10;;;/h9-32H,1-8H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2;

InChI Key

CBZXDZCPCDMKJU-UHFFFAOYSA-L;

Storage

2-8°C

Complexity

1090

Covalently-Bonded Unit Count

Exact Mass

1040.275g/mol

Heavy Atom Count

Monoisotopic Mass

1040.275g/mol

Rotatable Bond Count

Topological Polar Surface Area

0A^2