Nitrofurfural is a key building block for the synthesis of antimicrobial nitrofurans as active pharmaceutical ingredients. Its involves nitration furfural, substrate derived from biobased resources. However, furfural has delicate heteroaromatic backbone. Typical nitrations involve harsh reaction conditions, which often compromise this structure, resulting in poor reproducibility and low yields. Although acetyl nitrate, mild nitrating agent, suitable task, major deterrents remain. First, its...

Nitrofurfural is a key building block for the synthesis of antimicrobial nitrofurans as active pharmaceutical ingredients. Its involves nitration furfural, substrate derived from biobased resources. However, furfural has delicate heteroaromatic backbone. Typical nitrations involve harsh reaction conditions, which often compromise this structure, resulting in poor reproducibility and low yields. Although acetyl nitrate, mild nitrating agent, suitable task, major deterrents remain. First, its...

Nitrofurfural is a key building block for the synthesis of antimicrobial nitrofurans as active pharmaceutical ingredients. Its involves nitration furfural, substrate derived from biobased resources. However, furfural has delicate heteroaromatic backbone. Typical nitrations involve harsh reaction conditions, which often compromise this structure, resulting in poor reproducibility and low yields. Although acetyl nitrate, mild nitrating agent, suitable task, major deterrents remain. First, its...

The internal plasticizing effect occurs when a flexible substituent, especially one linked to rigid moiety, lowers the glass transition temperature (Tg) of an organic compound by disrupting molecular packing and increasing movement. While this concept has long been recognized in polymers, its potential application low-molecular-weight, nonpolymeric compounds gained attention only recently. In study, we provide direct evidence supporting among low-molecular-weight glass-formers comparing...

Despite decades of studies, a clear understanding near-Tg phenomena remains challenging for glass-forming systems. This review delves into the intricate molecular dynamics small, heterocyclic thioether, 6-methyl-2,3-dihydro-1,4-benzodithiine (MeBzS2), with particular focus on its cold crystallization and relaxation mechanisms. Investigating isothermal kinetics at various temperatures reveals significant interplay between recrystallization from supercooled liquid. We also identify two...

Molecular dynamics and transport coefficients change significantly around the so-called Arrhenius crossover in glass-forming systems. In this article, we revisit dynamic processes occurring a macrocyclic crown thiaether MeBzS2O above its glass transition, revealing two temperatures: TB at 309 TA 333 K. We identify second one as that is closely related to normal-to-supercooled liquid transition compound. show transformation point goes far beyond molecular (where temperature dependence of...

Latent fingerprints are a significant carrier of information for court expert. To detect this type forensic trace, what is necessary method that easy to use, compact, and versatile. The research aimed investigate the physicochemical properties luminescent substances donor–π–acceptor systems in terms their potential use detecting hidden fingerprints. During research, group fluorene compounds consisting (-CH=C(CN)(COOR)) moiety was designed successfully synthesized. optical, electrochemical,...

Three compounds obtained from ephedrine were identified and characterized by various instrumental analytical methods. Ephedrone (methcathinone) hydrochloride its fundamental derivatives N-acetylephedrine N-acetylephedrone analyzed as precursors of a cathinone derivative.The samples gas chromatography coupled with mass spectrometry, nuclear magnetic resonance spectroscopy, infrared Raman X-ray crystallography.The three confirmed as: N-methyl-2-amino-1-phenylpropan-1-one hydrochloride,...

The dielectric properties, glass transition temperature and molecular dynamics of thiacrown ethers are strongly dependent on the ring type.

In this work, the role of intermolecular interaction on aggregation-induced emission (AIE) phenomenon and organic light-emitting diodes' (OLEDs) performance was investigated. During research, a group compounds consisting (-CH=C(CN)(COOR)) moiety with identical energy parameters designed using DFT approach successfully synthesized. The optical, electrochemical, properties were studied. has been studied in mixture MeCN (as good solvent) water poor different fractions ranging from 0% to 99%....

This article presents the synthesis and molecular dynamics investigation of three novel cyclic thioethers: 2,3-(4'-methylbenzo)-1,4,7,10-tetrathiacyclododeca-2-ene (compound 1), 2,3,14,15-bis(4',4″(5″)-methylbenzo)-1,4,7,10,13,16,19,22,25-octathiacyclotetracosa-2,14-diene 2), 2,3,8,9-bis(4',4″(5″)-methylbenzo)-1,4,7,10-tetrathiacyclododeca-2,8-diene 3). The compounds exhibit relatively high glass transition temperatures (Tg), which range between 254 283 K. characteristic positions them...

Due to the electron-reach π -conjugated organic semiconductors system, chemical so-called p-type doping is easily achievable. Oxidation by some molecules, atoms, or ions called “ dopants ” agents force molecule accept positive electrical charge. In general, there are several “theoretical” ways increase conductivity of introduction, as mentioned above, charge carriers into structure molecule. For this reason, it was designed and synthesized a model possessing: (a) acidic hydrogen—a fragment...

A new polymorph of sparteinium tetrachlorocuprate monohydrate [(C15H28N2)CuCl4·H2O] is reported. The structure the analyzed crystal was solved in orthorhombic P212121 space group with following unit cell parameters at 295 K: a = 9.7722(2) Å; b 13.4582(3) c 15.1582(3) Å. various types hydrogen bonding interactions existing this salt were compared data previously reported polymorph. XRPD measurement proved that our consists pure phase Cooling down to ca. 230 K caused its color change from...