Bhaskar Reddy, Manda published the artcileDesign and synthesis of Tr?ger’s base ditopic receptors: host-guest interactions, a combined theoretical and experimental study, SDS of cas: 10517-44-9, the publication is Organic & Biomolecular Chemistry (2015), 13(4), 1141-1149, database is CAplus and MEDLINE.
Two flexible Troeger base ditopic receptors C4TB and C5TB incorporating an aza-crown ether were designed and synthesized for bis[ammonium ion] complexation. A comprehensive study of host-guest interactions was established by 1H NMR spectroscopy and DFT calculations Bis[ammonium chloride] with a short alkyl chain spacer showed the highest affinity for the receptors. M06-2X/cc-pVTZ calculations including the solvent effects on host-guest complexes were employed to explain and rationalize the exptl. trends. The short N-H¡¤¡¤¡¤O or N-H¡¤¡¤¡¤N hydrogen-bond distances observed in the range of 1.71-1.98 ? indicate the existence of a strong charge assisted hydrogen bonding between the host and the guest. The unusual behavior (higher binding constant) of A5 in 1H NMR titration is traced to the conformational folding of the guest. The synthesis of the target compounds was achieved by a reaction of 1,4,7-trioxa-10-azacyclododecane and 1,4,7,10-tetraoxa-13-azacyclopentadecane with a bis(bromoethoxy)6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine derivative (Troger’s base).
Organic & Biomolecular Chemistry published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C3H12Cl2N2, SDS of cas: 10517-44-9.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia