Machine Learning in Chemistry about 36620-11-8

Compounds in my other articles are similar to this one(Bis(norbornadiene)rhodium (I) tetrafluoroborate)Related Products of 36620-11-8, you can compare them to see their pros and cons in some ways,such as convenient, effective and so on.

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called A Computational Study of Asymmetric Hydrogenation of 2-Phenyl Acrylic Acids Catalyzed by a Rh(I) Catalyst with Ferrocenyl Chiral Bisphosphorus Ligand: The Role of Ion-Pair Interaction, published in 2021-06-30, which mentions a compound: 36620-11-8, Name is Bis(norbornadiene)rhodium (I) tetrafluoroborate, Molecular C14H8BF4Rh, Related Products of 36620-11-8.

Asym. hydrogenation reaction is one of the most efficient synthetic methods to form useful chiral compounds for synthetic chem., medicinal chem. and material chem. Generally, the enantioselectivity of many hydrogenation reactions is controlled by steric hindrance between the chiral ligand and substrate. Recently, Zhang group developed a highly asym. hydrogenation of 2-aryl and 2-alkyl acrylic acids catalyzed by a Rh(I) catalyst with a chiral Wudaphos ligand. The excellent enantioselectivity of this asym. reaction was proposed to be controlled by ion-pair interaction between the substrate and chiral ligand. In this study, a systematic d. functional theory study has been carried out to investigate the reaction mechanism and origin of the enantioselectivity. Our computational results suggest that this reaction follows the classic mechanism involving oxidative addition of H2, migratory insertion and reductive elimination. Different from the C=C coordination to the metal in the common oxidative addition step, our study found that the chelation of the carboxyl group of the substrate to the cationic Rh(I) metal is more favorable in this oxidative addition step. The high enantioselectivity is proposed to be dictated by a better catalyst/substrate geometric complementarity in the major pathway to have less distortion of the catalyst for a strong ion-pair interaction.

Compounds in my other articles are similar to this one(Bis(norbornadiene)rhodium (I) tetrafluoroborate)Related Products of 36620-11-8, you can compare them to see their pros and cons in some ways,such as convenient, effective and so on.

Reference:
Quinuclidine – Wikipedia,
Quinuclidine | C7H13N | ChemSpider