In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. In an article, author is Rao, NS, once mentioned the application of 766-97-2, Name is 1-Ethynyl-4-methylbenzene, molecular formula is C9H8, molecular weight is 116.16, MDL number is MFCD00008571, category is thiomorpholine. Now introduce a scientific discovery about this category, SDS of cas: 766-97-2.
The natural abundance N-15-NMR chemical shifts of selected aliphatic amines, 2-substituted pyridine type compounds, bialicyclic tertiary amines have been measured as a function of the nature of the solvent. In the case of cyclic aliphatic amines, like piperidine, morpholine, piperazine, thiomorpholine, the nitrogen is more shielded in concentrated solution compared to that in dilute solution whereas in the hydrogen bonding and protonating solvents there is a prominent deshielding. 2-Substituted pyridines studied can be further divided into four sub groups. The site of hydrogen bonding and protonation in 2-amino, 2-hydroxy and 2-mercapto pyridines have been conclusively proved from the N-15-NMR chemical shifts and the well-known tautomeric forms of the above compounds. Similarly in the case of 2-(2-thienyl)pyridine and 2-(3-thienyl)pyridine, the site of donation has been proved as the nitrogen of the pyridine ring in both the compounds. In a similar manner, the site of hydrogen bonding and protonation in two individual compounds 2-anilinopyridine and 2-(2-pyridyl)benzimidazole have also been established. Among the bialicyclic amines, 1,2-diazabicyclo[2.2.2]octane (DABCO) behaved differently from the other two compounds. In both 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 1,5-diazabicyclo[4.3.0]non-5-ene (DBN), it was possible to show that N-1-nitrogen in both the compounds is the site of donation. The effect of the second donor site on the N-15-NMR chemical shift, the site of donation in the selected compounds and some typical compounds reported in literature have been presented and discussed. (C) 2002 Elsevier Science B.V. All rights reserved.
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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem