CAS 863971-62-4 [2-(Di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine]carbonylchlorohydridoruthenium(II)

Synonyms

Carbonylchlorohydrido[6-(di-t-butylphosphinomethyl)-2-(N,N-diethylaminomethyl)pyridine]ruthenium(II);863971-62-4;

IUPAC Name

chlororuthenium;N-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]-N-ethylethanamine;formaldehyde;

Molecular Weight

489.023g/mol

Molecular Formula

C20H37ClN2OPRu;

Canonical SMILES

CCN(CC)CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C.C=O.Cl[Ru];

InChI

InChI=1S/C19H35N2P.CH₂O.ClH.Ru/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8;1-2;;/h11-13H,9-10,14-15H2,1-8H3;1H2;1H;/q;;;+1/p-1;

InChI Key

XHYRMHCSCCPWAZ-UHFFFAOYSA-M;

Complexity

302

Covalently-Bonded Unit Count

Exact Mass

489.138g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

489.138g/mol

Rotatable Bond Count

Topological Polar Surface Area

33.2A^2

Application

The purpose of [2-(Di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine]carbonylchlorohydridoruthenium(II) is to serve as a precursor to an active ruthenium catalyst aimed at promoting greener synthesis processes for amide bond formation. By facilitating the dehydrogenative coupling of amines and alcohols, this compound enables the direct synthesis of amides with the concurrent release of hydrogen gas. Additionally, it plays a crucial role in the efficient hydrogenation of esters and the dehydrogenative coupling of alcohols to form esters under mild and neutral conditions, supporting more sustainable and efficient chemical transformations in various applications.

March 25, 2025

Exceptional Catalyst for Green Amide Synthesis

Using Alfa Chemistry's [2-(Di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine]carbonylchlorohydridoruthenium(II), we achieved efficient amide formation in our research. It facilitated dehydrogenative coupling seamlessly, contributing to sustainable chemistry practices. Highly recommend for a cleaner synthesis process!