53434-14-3

Upstream product

• 2150-46-1 Methyl 2,5-dihydroxybenzoate 
• 75-26-3 isopropyl bromide 

Downstream Products

• 1114333-52-6 methyl 2-hydroxy-3-nitro-5-(prop-2-yloxy)benzoate 
• 867218-32-4 2-{3,5-difluoro-4-(1-methyl-3-phenyl-propylamino)-6-[3-(5-trifluoromethyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-pyridin-2-yloxy}-5-isopropoxy-benzoic acid methyl ester 

Relevant academic research and scientific papers

Synthesis, structural investigations, hydrogen-deuterium exchange studies, and molecular modeling of conformationally stablilized aromatic oligoamides

Biasing the conformational preferences of aromatic oligoamides by internally placing intramolecular hydrogen bonds has led to a series of stably folded molecular strands. This article presents the results from extensive solid-state, solution, and computational studies on these folding oligomers. Depending on its backbone length, an oligoamide adopts a crescent or helical conformation. Surprisingly, despite the highly repetitive nature of the backbone, the internally placed, otherwise very similar intramolecular hydrogen bonds showed significantly different stabilities as demonstrated by hydrogen-deuterium exchange data. It was also observed that the hydrogen-bonding strength can be tuned by adjusting the substituents attached to the exterior of the aromatic backbones. Examining the amide hydrogen-deuterium exchange rates of trimers revealed that a six-membered hydrogen bond nearing the ester end is the weakest among all the four intramolecular hydrogen bonds of a molecule. This observation was verified by ab initio quantum mechanical calculations at the level of B3LYP/6-31G. Such a "weak point" creates the "battle of the bulge" where backbone twisting is centered, which is consistently observed in the solid-state structures of the four trimer molecules studied. In the solid state, the oligomers assemble into interesting one-dimensional structures. A pronounced columnar packing of short oligomers (i.e., dimers, trimers, and tetramer) and channel-like, potentially ion-conducting stacks of longer oligomers (i.e., tetramer, pentamer, and hexamer) were observed.

Helical organization in foldable aromatic oligoamides by a continuous hydrogen-bonding network

Introduction of a continuous internal hydrogen-bonding network suppressed the conformational flexibility of a series of oligoaromatic foldamers with a lengthened backbone. The helical ordering over up to six aromatic repeating units was established in solution by a 2D NOESY study and in the solid state by an X-ray diffraction method. Computational molecular modeling further corroborates the experimentally observed helical propagation in this class of foldable molecular strands.

The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex

The activated Factor VII/tissue factor complex (FVIIa/TF) plays a key role in the formation of blood clots. Inhibition of this complex may lead to new antithrombotic drugs. An X-ray crystal structure of a fluoropyridine-based FVIIa/TF inhibitor bound in the active site of the enzyme complex suggested that incorporation of substitution at the 5-position of the hydroxybenzoic acid side chain could lead to the formation of more potent inhibitors through interactions with the S1′/S2′ pocket.

Hydrazide salts

A compound having the general formula SPC1 In which R1 , R2, R3 and R4 may be the same or different and represent hydrogen, a straight or branched chain alkyl radical having 1 to 20 carbon atoms, an aralkyl radical having 7 to 20 carbon atoms which may be substituted by one or more alkyl groups having 1 to 4 carbon atoms, or may be of the type: SPC2 Wherein R5 and R6 are each a hydrogen atom or a methyl group, and each R represents the others of R1, R2, R3 and R4, an alkenyl radical having 2 to 20 carbon atoms; a cycloalkyl radical having 5 to 12 carbon atoms which may be substituted by one or more alkyl groups having 1 to 4 carbon atoms; an aryl radical having 6 to 10 carbon atoms; an alkaryl radical having 7 to 12 carbon atoms; a cyclohexyl alkyl radical in which the alkyl moiety has 2 or 3 carbon atoms and the cyclohexenyl ring may contain a methyl group as substituent; an alkenyl cyclohexyl radical in which the alkenyl moiety has 2 or 3 carbon atoms and the cyclohexyl ring may also contain a methyl group as substituent; or a group -OR7 wherein R7 represents an alkyl radical having 1 to 20 carbon atoms, a cycloalkyl radical having 5 to 12 carbon atoms, optionally substituted by one or more alkyl groups having 1 to 4 carbon atoms, an aryl radical having 6 to 10 carbon atoms or an alkenyl radical having 3 to 20 carbon atoms; or any two adjacent radicals R1, R2, R3 and R4 may be joined together to form an aryl ring which may be substituted by one or more alkyl groups having 1 to 20 carbon atoms; X represents an anion; and n is the valency of X, is useful for the extraction of metals from aqueous solutions.