Khalili, Gholamhossein published the artcileSynthesis and density functional theory studies of azirinyl and oxiranyl functionalized isoindigo and (3Z,3’Z)-3,3′-(ethane-1,2-diylidene)bis(indolin-2-one) derivatives, HPLC of Formula: 21286-54-4, the publication is Molecules (2019), 24(20), 3649pp., database is CAplus and MEDLINE.
A series of functionalized isoindigo compounds I (X = O, MeSO2N, PhSO2N, etc.) were synthesized in moderate yields by reaction of isoindigo with (S)-glycidyl tosylate, epibromohydrin or 2-(bromomethyl)-1-(aryl(or alkyl)sulfonyl)aziridines in the presence of MeONa under mild conditions. (3Z,3’Z)-3,3′-(Ethane-1,2-diylidene)bis(indolin-2-one), with an extended central olefin π-conjugated moiety, was also reacted with glycidyl tosylate and epibromohydrin to give the corresponding N,N’-disubstituted derivative II. Calculations with DFT and TD-DFT of hypothetical isoindigo-thiophene DA mols. with various electron withdrawing substituents, including aziridine, oxirane, nitrile, carbonyl, and sulfonate, indicated that the proximity and strength of the functional group have a significant effect on the HOMO, LUMO, vertical excitation energy and oscillator strength of the π-π* transitions.
Molecules published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, HPLC of Formula: 21286-54-4.
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