Dichloro[(R)-(-)-4,12-bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane][(1S,2S)-(-)-1,2-diphenylethylenediamine]ruthenium(II), min. 95%

Catalog Number

ACM325150570

Product Name

Dichloro[(R)-(-)-4,12-bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane][(1S,2S)-(-)-1,2-diphenylethylenediamine]ruthenium(II), min. 95%

Structure

CAS

325150-57-0

Category

Heterocyclic Organic Compound

Synonyms

325150-57-0;MFCD04974239;Di-Cl[(R)-(-)-4,12-bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane][(1S,2S)-(-)-1,2-diphenylethylenediamine]Ru(II);DICHLORO[(R)-(-)-4,12-BIS(DI(3,5-XYLYL)PHOSPHINO)-[2,2]-PARACYCLOPHANE][(1S,2S)-(-)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM;

IUPAC Name

[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1S,2S)-1,2-diphenylethane-1,2-diamine;

Molecular Weight

1073.142g/mol

Molecular Formula

C62H66Cl2N2P2Ru;

Canonical SMILES

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl;

InChI

InChI=1S/C48H50P2.C14H16N2.2ClH.Ru/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.0.../s1;

InChI Key

RNYWYINSJUUIIP-LISIALKWSA-L;

Application

The Noyori [(diphosphine) RuCl2 (diamine)] catalysts containing the chiral ligand Xylyl-Phanephos display exceptional activity and enantioselectivity in the asymmetric hydrogenation of a wide range of aromatic, heteroaromatic and α,β-unsaturated ketones.

Reactions are performed under mild conditions at room temperature and typically at low H2 pressures of 2-10 bar. High substrate concentrations of up to 40% w/v are tolerated.

Molar substrate/catalyst ratios of up to 100,000/1 are achieved with excellent reactivity and enantioselectivity using commercial grade substrates and solvents.

Complexity

1050

Covalently-Bonded Unit Count

3

Defined Atom Stereocenter Count

2

Exact Mass

1072.312g/mol

H-Bond Acceptor

2

H-Bond Donor

2

Heavy Atom Count

69

Monoisotopic Mass

1072.312g/mol

Rotatable Bond Count

9

Topological Polar Surface Area

52A^2

MSDS

COA

Spec Sheet