New research progress on 122-75-8 in 2021. As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 122-75-8, Name is N1,N2-Dibenzylethane-1,2-diamine diacetate, formurla is C20H28N2O4. In a document, author is Luna, Alberto, introducing its new discovery. Safety of N1,N2-Dibenzylethane-1,2-diamine diacetate.
The gas-phase basicity and acidity of 3-hydroxy-2-propenenitrile (3-hydroxyacrylonitrile) and its sulfur-containing analogue, 3-mercapto-2-propenenitrile, have been determined by means of high-level G3B3 ab initio calculations and, in the case of the latter compound, compared with the experimental values obtained by means of FT-ICR mass spectrometry techniques, and with previous reported values for the N equivalent to C-CH equivalent to CH-X (X=CH3, NH2, SiH3, PH2) analogues. For both compounds the Z-isomer is the dominant species in the gas-phase. Protonation takes place in both cases at the cyano group. The loss of the proton from the substituent, was found to be systematically much more favorable than the deprotonation at the HC=CH group. 3-Hydroxy-2-propenenitrile is predicted to be a stronger base by ca. 5 kJmol(-1) than its thio analogue, but a weaker acid by 26 U mol(-1). Both compounds are stronger acids than the corresponding unsubstituted vinyl compounds, because cyano substitution stabilizes much more the deprotonated species than the corresponding neutral compound. There is a clear disagreement between our theoretical estimates for both the gas-phase basicity and the gas-phase acidity of 3-mercapto-2-propenenitrile and the corresponding experimental values, which is consistent with its isomerization to yield isothiazole. (C) 2007 Elsevier B.V. All rights reserved.
Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. If you are hungry for even more, make sure to check my other article about 122-75-8, Safety of N1,N2-Dibenzylethane-1,2-diamine diacetate.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com