CAS 851051-43-9 [(S,S)-Teth-TsDpen RuCl] - Catalysts / Alfa Chemistry

Synonyms

[(S,S)-teth-TsDpen-RuCl];851051-43-9;C1-310;Chloro[(S,S)-1,2-diphenyl-N1-(3-phenylpropyl)-N2-(p-toluenesulfonyl)-1,2-ethanediamine]ruthenium(II);

IUPAC Name

chlororuthenium(1+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;

Molecular Weight

620.17g/mol

Molecular Formula

C30H31ClN2O2RuS;

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)NCCCC4=CC=CC=C4.Cl[Ru+];

InChI

InChI=1S/C30H31N2O2S.ClH.Ru/c1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25;;/h2-10,12-13,15-22,29-31H,11,14,23H2,1H3;1H;/q-1;;+2/p-1/t29-,30-;;/m0../s1;

InChI Key

MDABGVLQRDDWLY-ARDORAJISA-M;

Storage

2-8°C

Complexity

693

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

620.084g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

620.084g/mol

Rotatable Bond Count

Topological Polar Surface Area

55.6A^2

Application

The [(S,S)-Teth-TsDpen RuCl] serves as a catalyst specifically designed for the asymmetric transfer hydrogenation of ketones. This compound is notably effective in the reduction of ketone intermediates, playing a critical role in the synthesis of pharmaceuticals such as esketamine. Additionally, it is instrumental in the asymmetric hydrogenation of acetylenic ketones and facilitates the preparation of complex molecules like (3S,6S)-1,8-diphenylocta-1,7-diyne-3,6-diol from 1,8-diphenylocta-1,7-diyne-3,6-dione. By enabling these precise chemical transformations, this catalyst significantly contributes to advancements in synthetic chemistry.

March 23, 2025

Reliable Catalyst for Asymmetric Transfer Hydrogenation

I've used [(S,S)-Teth-TsDpen RuCl] in my research for efficient ketone reductions. This catalyst is exceptional in synthesizing esketamine and other complex molecules with high stereo-selectivity and reproducibility.