Synthesis and evaluation of aromaticity and tautomerization of pyrazolopyridazin(on)es.
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| Title: | Synthesis and evaluation of aromaticity and tautomerization of pyrazolopyridazin(on)es. |
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| Authors: | Menges, Nurettin1 nurettinmenges@yyu.edu.tr, Bildirici, İshak1 ishakbildirici@gmail.com |
| Source: | Journal of Chemical Sciences. Jun2017, Vol. 129 Issue 6, p741-752. 12p. |
| Subjects: | Aromaticity, Chemical synthesis, Pyridazines, Tautomerism, Electron density |
| Abstract: | Aromaticity of pyrazolopyridazin(on)es was investigated using NICS(0), NICS(1), NICSzz(1), FIPC-NICS and HOMA aromaticity indexes and it was observed that aromaticity of pyridazin(on)es was amenable to aromaticity of pyrazole and vice versa. Some tautomeric forms of pyridazinone were analyzed and the localized orbital locator maps, electron density maps, Fuzzy, Laplacian, and Mayer bond order methods showed dominant form. Different substituents, amine, chlorine, phenyl, methyl, hydrogen, substituted-phenyl, etc. on both the rings were chosen to search out the substituent effect. Aromaticity of pyrazolopyridazin(on)es was searched out in detail for the first time. Graphical Abstract : Synopsis: Aromaticity of Pyrazolopyridazine was calculated and the effect of bicyclic system on aromaticity was revealed. Furthermore, tautomerization of the same skeleton was investigated and the dominant tautomer was identified by means of aromaticity, bond order, and LOL map. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Chemical Sciences is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Links: – Type: pdflink Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 123691384 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Synthesis and evaluation of aromaticity and tautomerization of pyrazolopyridazin(on)es. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Menges%2C+Nurettin%22">Menges, Nurettin</searchLink><relatesTo>1</relatesTo><i> nurettinmenges@yyu.edu.tr</i><br /><searchLink fieldCode="AR" term="%22Bildirici%2C+İshak%22">Bildirici, İshak</searchLink><relatesTo>1</relatesTo><i> ishakbildirici@gmail.com</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Chemical+Sciences%22">Journal of Chemical Sciences</searchLink>. Jun2017, Vol. 129 Issue 6, p741-752. 12p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Aromaticity%22">Aromaticity</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+synthesis%22">Chemical synthesis</searchLink><br /><searchLink fieldCode="DE" term="%22Pyridazines%22">Pyridazines</searchLink><br /><searchLink fieldCode="DE" term="%22Tautomerism%22">Tautomerism</searchLink><br /><searchLink fieldCode="DE" term="%22Electron+density%22">Electron density</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Aromaticity of pyrazolopyridazin(on)es was investigated using NICS(0), NICS(1), NICSzz(1), FIPC-NICS and HOMA aromaticity indexes and it was observed that aromaticity of pyridazin(on)es was amenable to aromaticity of pyrazole and vice versa. Some tautomeric forms of pyridazinone were analyzed and the localized orbital locator maps, electron density maps, Fuzzy, Laplacian, and Mayer bond order methods showed dominant form. Different substituents, amine, chlorine, phenyl, methyl, hydrogen, substituted-phenyl, etc. on both the rings were chosen to search out the substituent effect. Aromaticity of pyrazolopyridazin(on)es was searched out in detail for the first time. Graphical Abstract : Synopsis: Aromaticity of Pyrazolopyridazine was calculated and the effect of bicyclic system on aromaticity was revealed. Furthermore, tautomerization of the same skeleton was investigated and the dominant tautomer was identified by means of aromaticity, bond order, and LOL map. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Chemical Sciences is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s12039-017-1293-3 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 12 StartPage: 741 Subjects: – SubjectFull: Aromaticity Type: general – SubjectFull: Chemical synthesis Type: general – SubjectFull: Pyridazines Type: general – SubjectFull: Tautomerism Type: general – SubjectFull: Electron density Type: general Titles: – TitleFull: Synthesis and evaluation of aromaticity and tautomerization of pyrazolopyridazin(on)es. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Menges, Nurettin – PersonEntity: Name: NameFull: Bildirici, İshak IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 06 Text: Jun2017 Type: published Y: 2017 Identifiers: – Type: issn-print Value: 09743626 Numbering: – Type: volume Value: 129 – Type: issue Value: 6 Titles: – TitleFull: Journal of Chemical Sciences Type: main |
| ResultId | 1 |
