3460-20-6Relevant articles and documents
Computational and Experimental Evidence of Emergent Equilibrium Isotope Effects in Anion Receptor Complexes
Tresca, Blakely W.,Brueckner, Alexander C.,Haley, Michael M.,Cheong, Paul H.-Y.,Johnson, Darren W.
, p. 3962 - 3965 (2017)
The measurement of a deuterium equilibrium isotope effect (EIE) for the aryl CH···Cl- interaction of anion receptor 1H/1D is reported. Computations corroborate the results of solution measurements for a small, normal EIE in the full complex (KaH/KaD = 1.019 ± 0.010). Interestingly, isotope effects involving fragments of the anion receptor (urea, aryl ring, etc.) are predicted to produce an inverse effect. This points to an unusual and subtle structural organization effect of the anion receptor complex that changes the nature of the combined interactions to a normal isotope effect. The reversal of EIE values suggests that overall architecture of the anion receptor can dramatically impact the nature of bonding in these complexes.
A Strategy towards the Multigram Synthesis of Uncommon Hexaarylbenzenes
Lungerich, Dominik,Reger, David,H?lzel, Helen,Riedel, René,Martin, Max M. J. C.,Hampel, Frank,Jux, Norbert
supporting information, p. 5602 - 5605 (2016/05/09)
A novel rational synthetic pathway - the "functionalization of para-nitroaniline" (FpNA) - provides substituted hexaarylbenzenes (HABs) with uncommon symmetries that bear up to five different substituents, fully avoiding regioisomeric product distributions during the reactions. 4-Nitroaniline is functionalized by a cascade of electrophilic halogenations, Sandmeyer brominations, and Suzuki cross-coupling reactions, leading to 26 substitution geometries, of which 18 structures are not available by the current established techniques. Furthermore, we demonstrate that this method is applicable to the bulk production of such systems on a multigram scale. Regarding optoelectronic properties, we demonstrate how highly functionalized HABs can show strong luminescent behavior, making these molecules very attractive to organic electronic devices.
Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase
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, (2008/06/13)
Disclosed are substituted bis(4-aminophenyl-sulfonees of general formula STR1 wherein R1 is hydrogen, alkyl or cycloalkyl; group, R2 is hydrogen or C1 -C3 alkyl, R3 is nitrile, C1 -C3 alkylaminocarbonyl, di C1 -C3 alkylaminocarbonyl, C3 -C7 N-cycloalkyl-C1 -C3 alkylaminocarbonyl C1 -C3 alkylamino, C1 -C3, di alkylaminocarbonyl alkoxy, alkylaminosulfonyl, di C1 -C3 alkylaminono, diC1 -C3 alkylaminosulfonyl, hydroxy C1 -C3 alkyl, C1 -C3 alkylcarbonyl, amino C1 -C3 alkyl or C1 -C3 alkoxy C1 -C3 alkyl group or, when R1 and R2 are each hydrogen, R3 can be hydroxy, hydroxycarbonyl C1 -C3 alkoxy or di C1 -C3 aminocarbonylalkoxy; or, when R1 is C1 -C3 alkyl or C1 -C3 cycloalkyl and R2 is hydrogen or C1 -C3 alkyl, R3 can also be halogen, trifluoromethyl, nitro, amino, aminosulfonyl, aminocarbonyl, C1 -C3 alkylo, carboxy or C1 -C3 akoxycarbonyl; and R4 is hydrogen or, when R1 and R2 are each hydrogen and R3 is halogen or hydroxy, R4 can also be halogen, hydroxy or C1 -C3 alkoxy; or a nontoxic, pharmaceutically acceptable salt thereof. Also disclosed are pharmaceutical compositions comprising such compounds alone and in combination with dihydrofolic acid-reductage inhibitors. The compounds and compositions are useful for their inhibiting effect on bacteria, mycobacteria and plasmodia.
