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Anion effect on the conformational equilibrium of sulfamide and its N,N′N,N′ ‐diindolyl derivative: Insights on anion transportation

机译:阴离子对磺酰胺的构象平衡及其 N,N' N,N'-二吲哚基衍生物:关于阴离子运输的见解

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Abstract > The relatively high acidity of the sulfamide hydrogens suggests a potential for the development of sulfamide derivatives as novel anion receptors. The interactions of sulfamide with F ? , Cl ? , CH <sub>3</sub> COO ? , and H <sub>2</sub> PO <sub>4</sub> ? anions were spectroscopically ( 1 H and 19 F NMR) and theoretically (density functional theory) analyzed, and the complexation through hydrogen bonds was confirmed by changes in the NMR signals and theoretical calculations. The replacement of 2 sulfamide hydrogens with indolyl groups yields the <fi>N,N′</fi> ‐diindolylsulfamide ( DIS , <fi>N</fi> ‐1 <fi>H</fi> ‐indol‐4‐yl‐ <fi>N′</fi> ‐1 <fi>H</fi> ‐indol‐7‐ylsulfuric diamide), whose bond rotations allow the interaction of 4 H(N) atoms with anions. The conformational preferences of DIS change upon the presence of anions, but they are practically insensitive to the anion type. According to the quantum theory of atoms in molecules, natural bond orbital analysis, and NMR chemical shifts, as well as to a thermodynamic cycle, the complex with fluoride is the most stable, followed by the oxoanion‐derived models. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译:</span><Abstract Type =“Main”XML:Lang =“en”> <标题类型=“main”>摘录</标题> >磺胺氢的相对较高的酸度表明磺胺衍生物作为新颖的氨基磺酰胺衍生物的潜力阴离子受体。氨基酰胺与f β〜,cl β-sup>,ch <sub> 3 </ sub> coo βb</ sup>和h <sub> 2的相互作用</ sub> Po <sub> 4 </ sub> α</ sup>阴离子被光谱( 1 </ sup> h和 19 </ sup> f nmr)和理论上(密度分析的功能理论,通过NMR信号的变化和理论计算的变化来确认通过氢键的络合。用吲哚基替代2磺酰胺氢化氢,得到<fi> n,n' - -diindolyl硫酰胺( dis </ b>,<fi> n </ fi> -1 </ fi> h </ - -indol-4-yl- <fi> n'</ fi> -1 <fi> h </ fi> -indol-7- ylsulfuric酰胺酰胺),其粘接旋转允许4 h(n)原子的相互作用有阴离子。在阴离子的存在时 dis </ b>改变的构象偏好,但它们对阴离子类型几乎不敏感。根据分子的量子原子,天然键轨道分析和NMR化学位移,以及热力学循环,氟化物的复合物是最稳定的,其次是氧化氧化模型。 </ p> </ abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-35546/'>《Journal of Physical Organic Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第9期</span><b style="margin: 0 2px;">|</b><span>共8页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Mendon?a Jo?o G.P.&option=202" target="_blank" rel="nofollow">Mendon?a Jo?o G.P.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Fernandes Sergio A.&option=202" target="_blank" rel="nofollow">Fernandes Sergio A.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Cormanich Rodrigo A.&option=202" target="_blank" rel="nofollow">Cormanich Rodrigo A.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Freitas Matheus P.&option=202" target="_blank" rel="nofollow">Freitas Matheus P.;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>Department of ChemistryFederal University of LavrasLavras MG Brazil;</p> <p>Department of ChemistryFederal University of Vi?osaVi?osa MG Brazil;</p> <p>Institute of ChemistryUniversity of CampinasCampinas SP Brazil;</p> <p>Department of ChemistryFederal University of LavrasLavras MG Brazil;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/4796.html" title="有机化学一般性问题">有机化学一般性问题;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=anion carrier&option=203" rel="nofollow">anion carrier;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=conformation analysis&option=203" rel="nofollow">conformation analysis;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=hydrogen bonding&option=203" rel="nofollow">hydrogen bonding;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=sulfamide&option=203" rel="nofollow">sulfamide;</a> </p> <div class="translation"> 机译:阴离子载体;构象分析;氢键;磺胺键; 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href="/journal-cn-10958/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 高等学校化学学报 </a> </span> <span> . 1989</span><span>,第002期</span> </span> </div> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/academic-journal-cn_chinese-journal-applied-chemistry_thesis/0201272094474.html">无溶剂氧化亚锡催化合成2-(3-吲哚基)-甲基丙二酸二甲酯衍生物</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=许招会&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 许招会</a> <span> <a href="/journal-cn-54377/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 应用化学 </a> </span> <span> . 2015</span><span>,第007期</span> </span> </div> </li> <li> <div> <b>6. </b><a class="enjiyixqcontent" href="/academic-conference-cn_meeting-31972_thesis/02022479588.html">吲哚基修饰β-环糊精的合成及其在水溶液中构象的圆二色谱研究</a> <b>[C]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=尤长城&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 尤长城</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=赵彦利&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,赵彦利</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=刘育&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,刘育</a> <span> <a href="/conference-cn-31972/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 全国第十届大环化学、第二届超分子化学学术讨论会 </a> <span> <span> . 2000</span> </span> </div> </li> <li> <div> <b>7. </b><a class="enjiyixqcontent" href="/academic-degree-domestic_mphd_thesis/020314944800.html">N,N--双(取代吡啶酰基)环已烷--1,2--二胺催化Biginelli反应合成二氢吡啶酮类化合物的研究及一锅法合成香豆素基吲哚衍生物的研究</a> <b>[A] </b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=安晓霞&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 安晓霞</a> <span> . 2014</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/patent-detail/06120105327312.html">取代吲唑基磺酰胺和2,3-二氢-吲哚基磺酰胺化合物、其制备及在药物中的用途</a> <b>[P]</b> . <span> 中国专利: CN101133034A </span> <span> . 2008-02-27</span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/06120106497541.html">新的吲哚基-*二唑基-二氮杂二环壬烷衍生物及它们的医药和诊断用途</a> <b>[P]</b> . <span> 中国专利: CN102300574A </span> <span> . 2011-12-28</span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/patent-detail/06130427412318.html">METHOD FOR PRODUCING ONIUM SALTS COMPRISING DIALKYLPHOSPHATE ANIONS, DIALKYLPHOSPHINATE ANIONS OR (O-ALKYL)-ALKYL ANIONS OR ALKYL-PHOSPHONATE ANIONS HAVING A LOW HALIDE CONTENT</a> <b>[P]</b> . <span> 外国专利: <!-- 欧洲知识产权局专利: --> EP1824866B1 </span> <span> . 2010-10-06</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译:制备具有低卤化物含量的包含二烷基膦酸阴离子,二烷基膦酸阴离子或(邻-烷基)-烷基阴离子或烷基-膦酸阴离子的鎓盐的方法 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130432164824.html">METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT</a> <b>[P]</b> . <span> 外国专利: <!-- 欧洲知识产权局专利: --> EP1824827B1 </span> <span> . 2008-09-17</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译:制备包含低卤化物含量的烷基阴离子或芳基磺酸盐阴离子或烷基阴离子或芳基羧酸盐阴离子的鎓盐的方法 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130434501045.html">METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT</a> <b>[P]</b> . <span> 外国专利: <!-- 欧洲知识产权局专利: --> EP1824827A1 </span> <span> . 2007-08-29</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译:制备包含低卤化物含量的烷基阴离子或芳基磺酸盐阴离子或烷基阴离子或芳基羧酸盐阴离子的鎓盐的方法 </span> </p> </li> </ul> </div> </div> </div> <div class="theme cardcommon" style="overflow: auto;display:none"> <h3 class="all_title" id="enpatent55">相关主题</h3> <ul id="subject"> </ul> </div> </div> </div> </div> <div class="right rightcon"> <div class="details_img cardcommon clearfix" style="margin-bottom: 10px;display:none;" > </div> </div> </div> <div id="thesis_get_original1" class="downloadBth" style="bottom: 19px;z-index: 999;" onclick="ywcd('0704025793518','4',7,2,1,'',this,24)" class="delivery" prompt="010401" title="通过人工服务将文献原文发送至邮箱" >获取原文</div> <div class="journalsub-pop-up" style="display: none"> <div class="journal-sub"> <h2>期刊订阅</h2> <img src="https://cdn.zhangqiaokeyan.com/img/loginclose.png" alt="" 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