75-87-6Relevant articles and documents
Synthesis, spectral properties, crystal structure and theoretical calculations of a new geminal diamine: 2,2,2-Trichloro-N,N?-bis(2-nitrophenyl)-ethane-1,1-diamine
Ayd?n, Fatma,Arslan, N Burcu
, (2021)
A new 2,2,2-trichloro-N,N?-bis(2-nitrophenyl)-ethane-1,1-diamine was synthesized by the reaction of 2-nitroaniline in DCM with the chloral formed by distillation of chloral hydrate over concentrated H2SO4. The structure of the title compound was identified by means of FT-IR, 1H NMR, and 13C NMR spectroscopic techniques. The crystal structure of the title compound has also been examined by using X-ray crystallographic techniques and found to be crystallized in the monoclinic crystal system and space group P21/n with the unit cell parameters: a = 7.7075(12) ?, b = 7.7396(10) ?, c = 28.247(4) ?, β = 93.602(5)°, V = 1681.7(4) ?3, Dx = 1.602 Mg m ? 3, and Z = 4 respectively. The calculated electronic structure properties of the title molecule such as HOMO-LUMO analysis, molecular electrostatic potential (MEP) map, and the Mulliken charge distributions were investigated by using the density functional theory (DFT) method. Theoretically calculated values exhibit the chemically hard, high kinetic stable and less reactive molecule.
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Castagnola et al.
, p. C17 (1973)
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Photocatalytic degradation of gaseous trichloroethylene on porous titanium dioxide pellets modified with copper(II) under visible light irradiation
Tashiro, Keigo,Tanimura, Toshifumi,Yamazaki, Suzuko
, p. 228 - 235 (2019/04/17)
Porous titanium dioxide pellets modified with copper(II) ion (Cu-TiO2) were synthesized by sol-gel method with dialysis for photocatalytic degradation of gaseous trichloroethylene (TCE) under visible light (VL) irradiation. TCE was completely degraded by passing the gas stream (mole fractions of oxygen and TCE were 0.2 and 1.75 × 10?4, respectively) at the flow rate of 25 mL min?1 through 0.2 g of the Cu-TiO2 pellets (Cu content: 0.1 atom%) calcined at 200 °C. TCE was converted mainly to carbon dioxide, dichloroacetic acid (DCAA), and inorganic chlorine species. Relatively small quantities of pentachloroethane (PCA) and trichloroacetaldehyde (TCAH) were detected as products on the Cu-TiO2 surface. Comparison with porous TiO2 pellets under ultraviolet irradiation revealed that more chlorinated products and less carbon dioxide were formed on Cu-TiO2 under VL irradiation. The mineralization of TCE to carbon dioxide was calculated to be only ca. 30.0%. It is noted that DCAA, PCA and TCAH were accumulated on the surface and were extracted with ethyl acetate. The porous Cu-TiO2 pellets show promise as the photocatalyst acting under VL irradiation for converting TCE gas to chlorinated compounds which can be used in industries.
Asymmetric synthesis of propargylamines as amino acid surrogates in peptidomimetics
Wünsch, Matthias,Schr?der, David,Fr?hr, Tanja,Teichmann, Lisa,Hedwig, Sebastian,Janson, Nils,Belu, Clara,Simon, Jasmin,Heidemeyer, Shari,Holtkamp, Philipp,Rudlof, Jens,Klemme, Lennard,Hinzmann, Alessa,Neumann, Beate,Stammler, Hans-Georg,Sewald, Norbert
supporting information, p. 2428 - 2441 (2017/12/06)
The amide moiety of peptides can be replaced for example by a triazole moiety, which is considered to be bioisosteric. Therefore, the carbonyl moiety of an amino acid has to be replaced by an alkyne in order to provide a precursor of such peptidomimetics. As most amino acids have a chiral center at Cα, such amide bond surrogates need a chiral moiety. Here the asymmetric synthesis of a set of 24 N-sulfinyl propargylamines is presented. The condensation of various aldehydes with Ellman's chiral sulfinamide provides chiral N-sulfinylimines, which were reacted with (trimethylsilyl)ethynyllithium to afford diastereomerically pure N-sulfinyl propargylamines. Diverse functional groups present in the propargylic position resemble the side chain present at the Cα of amino acids. Whereas propargylamines with (cyclo)alkyl substituents can be prepared in a direct manner, residues with polar functional groups require suitable protective groups. The presence of particular functional groups in the side chain in some cases leads to remarkable side reactions of the alkyne moiety. Thus, electron-withdrawing substituents in the Cα-position facilitate a base induced rearrangement to α,β-unsaturated imines, while azide-substituted propargylamines form triazoles under surprisingly mild conditions. A panel of propargylamines bearing fluoro or chloro substituents, polar functional groups, or basic and acidic functional groups is accessible for the use as precursors of peptidomimetics.
