Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 1121-22-8, Name is trans-Cyclohexane-1,2-diamine, SMILES is N[C@@H]1CCCC[C@H]1N, belongs to chiral-catalyst compound. In a document, author is Deng, Qianqian, introduce the new discover, COA of Formula: C6H14N2.
The origin and maintenance of axial chirality in the construction of naphthyl-C2-indoles,viathe asymmetric annulation ofortho-alkynylaniline catalyzed by a chiral Bronsted base (cinchonine-thiourea), have been systematically explored using density functional theory (DFT). Several key processes are included in the general mechanism of this kind of reaction: hydrogen bond adsorption of theortho-alkynylaniline by a catalyst, proton transfer for forming anortho-quinone methide (VQM) intermediate, intramolecular cyclization, and release of the catalyst to generateR- orS-axial-chiral aryl-C2-indole skeletons. The stereoselectivity-determining steps were identified, and the calculated results show that the pathway associated with theR-configurational isomer has the lower energy barrier, so the corresponding product should be the main one. Non-covalent interaction and atom-in-molecule analyses indicate that N-HMIDLINE HORIZONTAL ELLIPSISO, C-HMIDLINE HORIZONTAL ELLIPSIS pi and pi MIDLINE HORIZONTAL ELLIPSIS pi interactions play important roles in controlling the stereoselectivity. Multiple processes and different substituents were employed to compute the energy barriers for transformation betweenR- andS-configurational isomers, revealing that the volume of the substituents is key for maintaining high axial chirality. The obtained insights into the origin for generating and stabilizing the high axial chirality is valuable for the rational design of more efficient organocatalytic reactions.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 1121-22-8 is helpful to your research. COA of Formula: C6H14N2.
Reference:
Chiral Catalysts,
,Chiral catalysts – SlideShare