ChemInform Abstract: New Synthetic Approaches to Fused Heterocycloquinazolines.

Santagati, Andrea; Modica, Maria; Scolaro, Luigi Monsù; Santagati, Maria

doi:10.1002/chin.199932157

Cited by 2 publications

(2 citation statements)

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“…They mimic geometry and electronic properties of bioesters and are, therefore, used in studies on the inhibition of bioactivity. They are also well known for their anti-TB, anti-inflammatory, anti-bacterial, anti-cancer, and anti-HIV action [11][12][13]. 2,5-diaryl-1,3,4-oxadiazoles have been extensively studied in respect of its unique crystallographic behaviour.…”

Section: Introductionmentioning

confidence: 99%

1,3,4-oxadiazoles: evaluation of aromaticity and atomic charge distribution

Malek¹,

Zborowski²,

Gebski³

et al. 2008

Molecular Physics

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The aromaticity and atomic charge distribution were investigated for the mono-and disubstituted 1,3,4-oxadiazoles. Using an electron density-based approach (B3LYP), the structures of the molecules were estimated, then the changes of -electron delocalization of the heterocyclic ring were estimated based on geometric (HOMA) as well as magnetic properties (NICS). Aromaticity of the oxadiazole ring varies to some extend depending on the electron character of the substituent, however, the two methods do not correlate well. The HOMA approach suggests a non-aromatic character for the oxadiazole ring, while NICS predicts a relatively high aromaticity. Additionally, two computational methodologies were used for quantitative measures of atomic charges, i.e. AIM and GAPT. Results of these computations reveal accumulation of electron density inside the heterocyclic ring due to substitution by the aryl groups and its significant removal in the presence of the imino group. However, both procedures suggest different explanation of this fact.

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Section: Introductionmentioning

confidence: 99%

1,3,4-oxadiazoles: evaluation of aromaticity and atomic charge distribution

Malek¹,

Zborowski²,

Gebski³

et al. 2008

Molecular Physics

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“…Other thieno [2,3-d] pyrimidines have been reported as potential anti-inflammatory agents (10) . Also, some aminothienopyrimidine and thienotriazolo pyrimidine derivatives have been reported for their significant anticonvulsant activity (11) . Thus in view of these observations and as continuation of our previous work on the synthesis of organic compounds have biological interest (12)(13)(14)(15)(16) , we synthesize some newer thienopyrimidine derivatives for their expected biological activity.…”

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confidence: 99%

Synthesis of Some New Thieno [2, 3-d] pyrimidines

2010

Egypt. J. Chem.

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IMINO-3N-(substituted)-5-(thiophen-2-yl)-3,4,dihydro-thieno [2,3-d] pyrimidine-2(1H) (2) was used as precursor for the preparation of some novel 1-(2,3-dihydro-3-methyl-5-(thiophen-2-yl)-2-thioxothieno[2,3-d] pyrimidine-4 (1H)-ylidene)-3-methyl or phenylthiourea (3a,b) and also for the preparation of 2-Hydrazinyl-3methyl-5-(thiophen-2-yl)-thieno [2,3-d] pyrimidin-4(3H-imine) (5) which was reacted with methyl and phenylisothiocyanat at room temp. to give compounds 6a,b. Also, 5 was reacted with methylisothiocyanate, and / or formic acid to give the triazolopyrimidines 7 and 8. Also, 5 was reacted with nitrous acid to give the 2-azido thienopyrimidine 9.

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ChemInform Abstract: New Synthetic Approaches to Fused Heterocycloquinazolines.

Cited by 2 publications

References 1 publication

1,3,4-oxadiazoles: evaluation of aromaticity and atomic charge distribution

1,3,4-oxadiazoles: evaluation of aromaticity and atomic charge distribution

Synthesis of Some New Thieno [2, 3-d] pyrimidines

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