Pavlo V. Zadorozhnii, Ihor O. Pokotylo, Vadym V. Kiselev, Aleksandr V. Kharchenko
{"title":"[4 + 2]杂Diels-Alder反应合成(Z)- n,3-二环己基-6-取代-4-(三氯甲基)-3,4-二氢- 2h -1,3,5-恶二嗪-2-亚胺的光谱特征和分子结构","authors":"Pavlo V. Zadorozhnii, Ihor O. Pokotylo, Vadym V. Kiselev, Aleksandr V. Kharchenko","doi":"10.1016/j.cdc.2023.101093","DOIUrl":null,"url":null,"abstract":"<div><p>In this work, we report the synthesis of a series of new derivatives of 1,3,5-oxadiazine - (<em>Z</em>)-<em>N</em>,3-dicyclohexyl-6-<em>R</em>-4-(trichloromethyl)-3,4-dihydro-2<em>H</em>-1,3,5-oxadiazin-2-imines. The method for preparing these compounds was based on the [4 + 2] cycloaddition reaction of dicyclohexylcarbodiimide to <em>N</em>-(2,2,2-trichloroethylidene)carboxamides formed <em>in situ</em>. Target products were obtained in 74–87 % yield. The structure of the obtained derivatives of 2<em>H</em>-1,3,5-oxadiazin-2-imines was confirmed by IR, <sup>1</sup>H, and <sup>13</sup>C NMR spectroscopy, as well as the results of selective X-ray diffraction analysis.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"48 ","pages":"Article 101093"},"PeriodicalIF":2.2180,"publicationDate":"2023-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2405830023001040/pdfft?md5=b91d62e691a5710ccf512f3dcc024ae0&pid=1-s2.0-S2405830023001040-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Synthesis of (Z)-N,3-dicyclohexyl-6-substituted-4-(trichloromethyl)-3,4-dihydro-2H-1,3,5-oxadiazin-2-imines via [4 + 2] hetero Diels-Alder reaction: Their spectral characteristics and molecular structure\",\"authors\":\"Pavlo V. Zadorozhnii, Ihor O. Pokotylo, Vadym V. Kiselev, Aleksandr V. Kharchenko\",\"doi\":\"10.1016/j.cdc.2023.101093\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In this work, we report the synthesis of a series of new derivatives of 1,3,5-oxadiazine - (<em>Z</em>)-<em>N</em>,3-dicyclohexyl-6-<em>R</em>-4-(trichloromethyl)-3,4-dihydro-2<em>H</em>-1,3,5-oxadiazin-2-imines. The method for preparing these compounds was based on the [4 + 2] cycloaddition reaction of dicyclohexylcarbodiimide to <em>N</em>-(2,2,2-trichloroethylidene)carboxamides formed <em>in situ</em>. Target products were obtained in 74–87 % yield. The structure of the obtained derivatives of 2<em>H</em>-1,3,5-oxadiazin-2-imines was confirmed by IR, <sup>1</sup>H, and <sup>13</sup>C NMR spectroscopy, as well as the results of selective X-ray diffraction analysis.</p></div>\",\"PeriodicalId\":269,\"journal\":{\"name\":\"Chemical Data Collections\",\"volume\":\"48 \",\"pages\":\"Article 101093\"},\"PeriodicalIF\":2.2180,\"publicationDate\":\"2023-10-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S2405830023001040/pdfft?md5=b91d62e691a5710ccf512f3dcc024ae0&pid=1-s2.0-S2405830023001040-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Data Collections\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2405830023001040\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"Chemistry\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Data Collections","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2405830023001040","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Chemistry","Score":null,"Total":0}
Synthesis of (Z)-N,3-dicyclohexyl-6-substituted-4-(trichloromethyl)-3,4-dihydro-2H-1,3,5-oxadiazin-2-imines via [4 + 2] hetero Diels-Alder reaction: Their spectral characteristics and molecular structure
In this work, we report the synthesis of a series of new derivatives of 1,3,5-oxadiazine - (Z)-N,3-dicyclohexyl-6-R-4-(trichloromethyl)-3,4-dihydro-2H-1,3,5-oxadiazin-2-imines. The method for preparing these compounds was based on the [4 + 2] cycloaddition reaction of dicyclohexylcarbodiimide to N-(2,2,2-trichloroethylidene)carboxamides formed in situ. Target products were obtained in 74–87 % yield. The structure of the obtained derivatives of 2H-1,3,5-oxadiazin-2-imines was confirmed by IR, 1H, and 13C NMR spectroscopy, as well as the results of selective X-ray diffraction analysis.
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Chemical Data Collections (CDC) provides a publication outlet for the increasing need to make research material and data easy to share and re-use. Publication of research data with CDC will allow scientists to: -Make their data easy to find and access -Benefit from the fast publication process -Contribute to proper data citation and attribution -Publish their intermediate and null/negative results -Receive recognition for the work that does not fit traditional article format. The research data will be published as ''data articles'' that support fast and easy submission and quick peer-review processes. Data articles introduced by CDC are short self-contained publications about research materials and data. They must provide the scientific context of the described work and contain the following elements: a title, list of authors (plus affiliations), abstract, keywords, graphical abstract, metadata table, main text and at least three references. The journal welcomes submissions focusing on (but not limited to) the following categories of research output: spectral data, syntheses, crystallographic data, computational simulations, molecular dynamics and models, physicochemical data, etc.
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