197658-76-7

Upstream product

• 1067-09-0 1,3-dichloro-2-(chloromethyl)-2-methylpropane 
• 29949-64-2 di(o-tolyl)phosphine 

Downstream Products

• 289493-57-8 1,1,1-tris[bis(o-tolyl)phosphanylmethyl]ethanetricarbonylmolybdenum 
• 197659-03-3 CH₃C(CH₂P(C₆H₄CH₃)CH₂C₆H₅)3 

Relevant academic research and scientific papers

Homogeneous Catalytic Hydrogenation of CO2 to Methanol – Improvements with Tailored Ligands

Improved molecularly-defined cobalt catalysts for the hydrogenation of carbon dioxide to methanol have been developed. A key factor for increased productivity (up to twofold compared to previous state-of-the-art-system) is the specific nature of substitue

How to predict activation barriers - Conformational transformations of compounds CH3C(CH2PPh2)(3-n)[CH2P(oTol)2](n)Mo(CO)3 (n = 1-3): Force field calculations versus NMR data

Tripod metal entities tripodM are sterically congested systems. The conformations adopted by compounds CH3C(CH2PPh2)(3- n)[CH2P(oTol)2](n)Mo(CO)3 (n = 1: 1, n = 2: 2, n = 3: 3) will thus be largely determined by the repulsive forces acting in these molecules. The steric demand of the o-tolyl groups impedes their free rotation and enantiomerization processes referring to the compounds as a whole are sufficiently slow to permit their analysis by NMR techniques. Through a combination of line-shape analysis, EXSY methods, and coalescence experiments, the ΔG((+)) values for these conformational enantiomerization processes have been determined as ΔG((+))(298K) = 54.3, 57.9, 65.5 kJ·mol- 1 for compounds 1, 2, and 3, respectively. By an exhaustive search on a force field generated hypersurface, activation energies of 53, 57 and 69 kJ·mol-1 have been calculated. Thus, the force field approach correctly reproduces the dependence of the activation energy on the degree of o-tolyl substitution. Moreover, the force field simulation also gives an insight into the individual microsteps of the enantiomerization pathways.