N,N'-bis(4-methylbenzoyl)-2,6-diaminopyridine | 418786-40-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-bis(4-methylbenzoyl)-2,6-diaminopyridine
• 英文别名: N,N′-(pyridine-2,6-diyl)bis(4-methylbenzamide)；4-methyl-N-{6-[(4-methylbenzoyl)amino]-2-pyridinyl}benzamide；4-methyl-N-[6-[(4-methylbenzoyl)amino]pyridin-2-yl]benzamide
• CAS: 418786-40-0
• 化学式: C₂₁H₁₉N₃O₂
• 分子量: 345.401
• InChiKey: AMPSDUUKPIVKLY-UHFFFAOYSA-N

物化性质

• 沸点：
  422.9±45.0 °C(Predicted)
• 密度：
  1.265±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  71.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N'-bis(4-methylbenzoyl)-2,6-diaminopyridine 在 五氯化磷 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  3,5,7,9取代的六氮杂ac啶：趋向具有简并的单重态-三重态能量分离的结构

  摘要：

  为了准备稳定的中性开壳系统，我们合成了一系列新的p-苯基取代的3,5,7,9-六氮杂cr啶和3,5,7,9-六氮杂蒽衍生物。通过实验和计算[B3LYP / 6-311G（d，p）// B3LYP / 6-31G（d，p）]探讨了取代对分子电子性能的影响。尽管实验制备的结构已经具有较小的（20-25 kcal / mol）单重态-三重态能隙，但可以通过取代基数目，类型的系统变化实现具有更小的（<9 kcal / mol）单重态-三重态能级分离的系统和样式。与六氮杂cr啶相比，六氮杂蒽具有更小的单线态-三重态能隙。氮键引起的正感应和介晶效应的σ和π受体取代基以及碳键合的σ供体取代基使取代的六氮杂蒽成为纯有机高自旋体系的有希望的候选者。

  DOI：

  10.1021/jo8005123
• 作为产物：
  描述：

  2,6-二氨基吡啶 、 对甲基苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以62%的产率得到N,N'-bis(4-methylbenzoyl)-2,6-diaminopyridine
  参考文献：
  名称：

  3,5,7,9取代的六氮杂ac啶：趋向具有简并的单重态-三重态能量分离的结构

  摘要：

  为了准备稳定的中性开壳系统，我们合成了一系列新的p-苯基取代的3,5,7,9-六氮杂cr啶和3,5,7,9-六氮杂蒽衍生物。通过实验和计算[B3LYP / 6-311G（d，p）// B3LYP / 6-31G（d，p）]探讨了取代对分子电子性能的影响。尽管实验制备的结构已经具有较小的（20-25 kcal / mol）单重态-三重态能隙，但可以通过取代基数目，类型的系统变化实现具有更小的（<9 kcal / mol）单重态-三重态能级分离的系统和样式。与六氮杂cr啶相比，六氮杂蒽具有更小的单线态-三重态能隙。氮键引起的正感应和介晶效应的σ和π受体取代基以及碳键合的σ供体取代基使取代的六氮杂蒽成为纯有机高自旋体系的有希望的候选者。

  DOI：

  10.1021/jo8005123

文献信息

• THERMALLY REVERSIBLE CROSS-LINKED POLY (ARYL ETHER KETONE) MEDIA AND METHOD FOR HIGH DENSITY DATA STORAGE
  申请人：DiPietro Richard Anthony

  公开号：US20080186612A1

  公开（公告）日：2008-08-07

  A composition of matter for a recording medium in atomic force data storage devices. The composition includes one or more poly(aryl ether ketone) copolymers, each of the one or more poly(aryl ether ketone) copolymers including (a) a first monomer including an aryl ether ketone and (b) a second monomer including an aryl ether ketone and a hydrogen bonding cross-linking moiety, the moiety capable of forming two or more hydrogen bonds at room temperature, each of the one or more poly(aryl ether ketone) copolymers having two terminal ends, each terminal end having a phenylethynyl moiety. The covalent and hydrogen bonding cross-linking of the poly(aryl ether ketone) oligomers may be tuned to match thermal and force parameters required in read-write-erase cycles.

  一种用于原子力数据存储设备中的记录介质的物质组成物。该组成物包括一种或多种聚芳醚酮共聚物，每种聚芳醚酮共聚物包括（a）第一单体，包括芳基醚酮和（b）第二单体，包括芳基醚酮和氢键交联基团，该基团能够在室温下形成两个或更多的氢键，每种聚芳醚酮共聚物具有两个端点，每个端点具有苯乙炔基团。聚芳醚酮寡聚物的共价和氢键交联可以调节以匹配读写擦除循环所需的热和力参数。
• THERMALLY REVERSIBLE CROSS-LINKED POLY(ARYL ETHER KETONE) MEDIA AND METHOD FOR HIGH DENSITY DATA STORAGE
  申请人：DiPietro Richard Anthony

  公开号：US20110257344A1

  公开（公告）日：2011-10-20

  A composition of matter for a recording medium in atomic force data storage devices. The composition includes one or more poly(aryl ether ketone) copolymers, each of the one or more poly(aryl ether ketone) copolymers including (a) a first monomer including an aryl ether ketone and (b) a second monomer including an aryl ether ketone and a hydrogen bonding cross-linking moiety, the moiety capable of forming two or more hydrogen bonds at room temperature, each of the one or more poly(aryl ether ketone) copolymers having two terminal ends, each terminal end having a phenylethynyl moiety. The covalent and hydrogen bonding cross-linking of the poly(aryl ether ketone) oligomers may be tuned to match thermal and force parameters required in read-write-erase cycles.

  一种用于原子力数据存储设备中的记录介质的物质组成物。该组成物包括一个或多个聚芳醚酮共聚物，每个聚芳醚酮共聚物包括（a）第一单体，其中包括芳基醚酮和（b）第二单体，其中包括芳基醚酮和氢键交联基团，该基团能够在室温下形成两个或更多的氢键，每个聚芳醚酮共聚物具有两个端点，每个端点具有苯乙炔基团。聚芳醚酮寡聚物的共价和氢键交联可以调整以匹配读写擦除循环所需的热力学和力学参数。
• US7854878B2
  申请人：——

  公开号：US7854878B2

  公开（公告）日：2010-12-21
• Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging
  作者：Christoph Glotzbach、Ulrike Kauscher、Jens Voskuhl、N. Seda Kehr、Marc C. A. Stuart、Roland Fröhlich、Hans J. Galla、Bart Jan Ravoo、Kazuhiko Nagura、Shohei Saito、Shigehiro Yamaguchi、Ernst-Ulrich Würthwein

  DOI：10.1021/jo4003745

  日期：2013.5.3

  We have synthesized a series of new fluorescent boron systems 1a-c and 2a-d based on nitrogen (NNN) or nitrogen and oxygen (ONO)-containing tridentate ligands. These novel dyes are characterized by high thermal and chemical stability. They show large Stokes shifts (mostly above 3200 cm(-1)) and quantum yields in solution and in the solid state up to 40%. The easy, modular synthesis facilitates the convenient variation of the axial substituent on the central boron atom, allowing the functionalization of this dye for biochemical use. Introducing a long alkyl chain with a phenyl spacer at this axial position enables the self-assembly of the boron compound 2d to form a fluorescent vesicle, which is able to encapsulate small molecules such as sulforhodamine. Additionally, boron compound 2d was found to serve as a dye for cell imaging since it has the capability of binding to the nuclear membranes of HeLa cells. With phospholipids such as DOPC, giant unilamelar vesicles (GUV) are formed. These results demonstrate the wide applicability of this new boron system in supramolecular and medicinal chemistry.
• 3,5,7,9-Substituted Hexaazaacridines: Toward Structures with Nearly Degenerate Singlet−Triplet Energy Separations
  作者：Peter Langer、Shadi Amiri、Anja Bodtke、Nehad N. R. Saleh、Klaus Weisz、Helmar Görls、Peter R. Schreiner

  DOI：10.1021/jo8005123

  日期：2008.7.1

  9-hexaazaanthracene derivatives. The effects of substitution on the molecular electronic properties were probed both experimentally and computationally [B3LYP/6-311G(d,p)//B3LYP/6-31G(d,p)]. While the experimentally prepared structures already have small (20−25 kcal/mol) singlet−triplet energy gaps, systems with even smaller (<9 kcal/mol) singlet−triplet energy separations can be realized through systematic

  为了准备稳定的中性开壳系统，我们合成了一系列新的p-苯基取代的3,5,7,9-六氮杂cr啶和3,5,7,9-六氮杂蒽衍生物。通过实验和计算[B3LYP / 6-311G（d，p）// B3LYP / 6-31G（d，p）]探讨了取代对分子电子性能的影响。尽管实验制备的结构已经具有较小的（20-25 kcal / mol）单重态-三重态能隙，但可以通过取代基数目，类型的系统变化实现具有更小的（<9 kcal / mol）单重态-三重态能级分离的系统和样式。与六氮杂cr啶相比，六氮杂蒽具有更小的单线态-三重态能隙。氮键引起的正感应和介晶效应的σ和π受体取代基以及碳键合的σ供体取代基使取代的六氮杂蒽成为纯有机高自旋体系的有希望的候选者。