Their structures 6 and 7, determined mainly by means of NMR techniques, point to a formal loss of the C2 carbon atom from the quinuclidine moiety of the parent cinchonine ( 1c).doi:10.1016/0022-2860(93)07945-SJacek ThielJournal of Molecular StructureJournal of Molecular Structure...
Furthermore, it has not been found possible to modify the structure in a satisfactory manner on the basis of generally accepted deductions in regard to the ring containing the amide group. The validity of the simple and direct explanations of Leuchs' degradation of the strychninolones and b...
Cinchonine analytical grade structure CAS No. Chemical Name: Cinchonine analytical grade Synonyms Cinchonine analytical grade CBNumber: CB51458557 Molecular Formula: C19H22N2O Molecular Weight: 294.39078 MDL Number: MOL File: Mol file Request For QuotationSuppliers 1 ...
Molecular modeling calculations have been carried out to rationalize the experimental findings and predict the lowest energy molecular structure of inclusion complex.XianhongWenandZiyangLiuandTianqiangZhuandMiaoqinSDOSBioorganic ChemistryWen,X.,Liu,Z.,Zhu,T.,M.,Jiang,K.,Huang,Q.Evidence for the 2:1...
Self-assembly of cinchonine quaternary salts Effect of substituents and halogen anions on supramolecular architecture.pdf 2015-05-30上传 Self-assembly of cinchonine quaternary salts Effect of substituents and halogen anions on supramolecular architecture ...
Addtionally, the following datas could be converted into the molecular structure: (1)SMILES: Cl.n2c1c(cccc1)c(cc2)C(O)C3N4CCC(C3)C(/C=C)C4 (2)InChI: InChI=1/C19H22N2O.ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-...
The proposed structure of the intermediate responsible for the inversion of enantioselectivity is a 1:1 [beta]-ICN-EtPy surface complex in which the [beta]-ICN acts as a nucleophile and binds EtPy.JOURNAL OF CATALYSIS -NEW YORK-doi:10.1016/j.jcat.2004.11.013Bartok...
The crystal structure of (II) features CH... interactions and van der Waals forces only. The computational investigations using RHF/631G** ab initio and AM1 semi-empirical methods performed for (I) and (II) and their protonated species show that the conformational and energetic parameters of...
crystal structuredichroismdifferential scanning calorimetryinfrared spectranematic liquid crystalsorganic compoundsproton magnetic resonancesecondary ion mass spectraultraviolet spectraThe correlation between the structural and the physical properties in solid state of two novel salts of cinchonine, cinchoninium vio...
The stereostructure of these compounds was determined using, mainly, NMR techniques. The energy minima of conformers 5 and 5a were supported by molecular mechanics calculations. The mechanisms for the 1d → 5 → 2d sequence have been discussed. The alkaloid 5 is sterically preferred to its Z ...