Synthesis and structure of 5,7-diisopropyl-2-(quinolin-2-yl)-1,3-tropolone derivatives
A synthetic procedure towards 4,6-diisopropyl-3-nitro-1,2-benzoquinone was elaborated. Based on this benzoquinone, a series of novel 5,7-diisopropyl-2-(quinolin-2-yl)-1,3-tropolones and 5,7diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones were derived. Molecular structure of 2-(4-chloro-8-methylq...
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| Veröffentlicht in: | Russian chemical bulletin 2016-10, Vol.65 (10), p.2461-2468 |
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| creator | Sayapin, Yu. A. Duong, Nghia Bang Gusakov, E. A. Dorogan, I. V. Tkachev, V. V. Gorkovets, V. S. Komissarov, V. N. Duong, Ngoc Toan Nguyen, Dang Duc Shilov, G. V. Aldoshin, S. M. Minkin, V. I. |
| description | A synthetic procedure towards 4,6-diisopropyl-3-nitro-1,2-benzoquinone was elaborated. Based on this benzoquinone, a series of novel 5,7-diisopropyl-2-(quinolin-2-yl)-1,3-tropolones and 5,7diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones were derived. Molecular structure of 2-(4-chloro-8-methylquinolin-2-yl)-5,7-diisopropyl-1,3-tropolone was established by X-ray diffraction analysis. Energetic and structural characteristics of isomeric 5,7-diisopropyl-2-(quinolin-2yl)-1,3-tropolones and 5,7-diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones in the gas phase and in the polar solvent were calculated by quantum chemistry method (PBE0/6-311+G(d,p)). |
| doi_str_mv | 10.1007/s11172-016-1607-5 |
| format | Article |
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A. ; Duong, Nghia Bang ; Gusakov, E. A. ; Dorogan, I. V. ; Tkachev, V. V. ; Gorkovets, V. S. ; Komissarov, V. N. ; Duong, Ngoc Toan ; Nguyen, Dang Duc ; Shilov, G. V. ; Aldoshin, S. M. ; Minkin, V. I.</creator><creatorcontrib>Sayapin, Yu. A. ; Duong, Nghia Bang ; Gusakov, E. A. ; Dorogan, I. V. ; Tkachev, V. V. ; Gorkovets, V. S. ; Komissarov, V. N. ; Duong, Ngoc Toan ; Nguyen, Dang Duc ; Shilov, G. V. ; Aldoshin, S. M. ; Minkin, V. I.</creatorcontrib><description>A synthetic procedure towards 4,6-diisopropyl-3-nitro-1,2-benzoquinone was elaborated. Based on this benzoquinone, a series of novel 5,7-diisopropyl-2-(quinolin-2-yl)-1,3-tropolones and 5,7diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones were derived. Molecular structure of 2-(4-chloro-8-methylquinolin-2-yl)-5,7-diisopropyl-1,3-tropolone was established by X-ray diffraction analysis. Energetic and structural characteristics of isomeric 5,7-diisopropyl-2-(quinolin-2yl)-1,3-tropolones and 5,7-diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones in the gas phase and in the polar solvent were calculated by quantum chemistry method (PBE0/6-311+G(d,p)).</description><identifier>ISSN: 1066-5285</identifier><identifier>EISSN: 1573-9171</identifier><identifier>DOI: 10.1007/s11172-016-1607-5</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Benzoquinone ; Chemistry ; Chemistry and Materials Science ; Chemistry/Food Science ; Full Articles ; Inorganic Chemistry ; Molecular structure ; Organic Chemistry ; Quantum chemistry ; Vapor phases</subject><ispartof>Russian chemical bulletin, 2016-10, Vol.65 (10), p.2461-2468</ispartof><rights>Springer Science+Business Media New York 2016</rights><rights>Copyright Springer Science & Business Media 2016</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c316t-3b799041ebbde580aefa27caf1f5fee144d2e6a9882753d69c26f0f89c71718c3</citedby><cites>FETCH-LOGICAL-c316t-3b799041ebbde580aefa27caf1f5fee144d2e6a9882753d69c26f0f89c71718c3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s11172-016-1607-5$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s11172-016-1607-5$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27924,27925,41488,42557,51319</link.rule.ids></links><search><creatorcontrib>Sayapin, Yu. 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Molecular structure of 2-(4-chloro-8-methylquinolin-2-yl)-5,7-diisopropyl-1,3-tropolone was established by X-ray diffraction analysis. Energetic and structural characteristics of isomeric 5,7-diisopropyl-2-(quinolin-2yl)-1,3-tropolones and 5,7-diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones in the gas phase and in the polar solvent were calculated by quantum chemistry method (PBE0/6-311+G(d,p)).</description><subject>Benzoquinone</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Chemistry/Food Science</subject><subject>Full Articles</subject><subject>Inorganic Chemistry</subject><subject>Molecular structure</subject><subject>Organic Chemistry</subject><subject>Quantum chemistry</subject><subject>Vapor phases</subject><issn>1066-5285</issn><issn>1573-9171</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNp1kEtLxDAUhYMoOI7-AHcFNwoTzU2b11IGXzDgwsc2ZNpEM9RmJmkH-u-N1IUbV_fAPec-PoTOgVwDIeImAYCgmADHwInA7ADNgIkSKxBwmDXhHDMq2TE6SWlDCKFSyhl6fxm7_tMmnwrTNUXq41D3Q7RFcAVbCNx4n8I2hu3YYoovd4PvQuu7rMf2CsOixH1uhjZ0tmhs9HvT-71Np-jImTbZs986R2_3d6_LR7x6fnha3q5wXQLvcbkWSpEK7HrdWCaJsc5QURsHjjlroaoaarlRUlLByoarmnJHnFS1yG_Jupyji2luPnE32NTrTRhil1dqkIpViilQ2QWTq44hpWid3kb_ZeKogegffHrCpzM-_YNPs5yhUyZlb_dh45_J_4a-ATxQcfM</recordid><startdate>20161001</startdate><enddate>20161001</enddate><creator>Sayapin, Yu. 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Energetic and structural characteristics of isomeric 5,7-diisopropyl-2-(quinolin-2yl)-1,3-tropolones and 5,7-diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones in the gas phase and in the polar solvent were calculated by quantum chemistry method (PBE0/6-311+G(d,p)).</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s11172-016-1607-5</doi><tpages>8</tpages></addata></record> |
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| subjects | Benzoquinone Chemistry Chemistry and Materials Science Chemistry/Food Science Full Articles Inorganic Chemistry Molecular structure Organic Chemistry Quantum chemistry Vapor phases |
| title | Synthesis and structure of 5,7-diisopropyl-2-(quinolin-2-yl)-1,3-tropolone derivatives |
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