(piperazine-1,4-diylbis(diphenylphosphine oxide))

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (piperazine-1,4-diylbis(diphenylphosphine oxide))
• 英文别名: 1,4-Bis(diphenylphosphoroso)piperazine；1,4-bis(diphenylphosphoryl)piperazine
• 化学式: C₂₈H₂₈N₂O₂P₂
• mdl: MFCD03447591
• 分子量: 486.49
• InChiKey: FIUWQFLYYPUWIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (piperazine-1,4-diylbis(diphenylphosphine oxide)) 、 二苯基二氯化锡 以 甲醇 、 氯仿 为溶剂， 生成 [Ph₂P(O)N(C₄H₈)NP(O)Ph₂.SnPh₂Cl₂]_n
  参考文献：
  名称：

  Synthesis, characterization, crystal structures, QSAR study and antibacterial activities of organotin bisphosphoramidates

  摘要：

  Organotin complexes of bisphosphoramidates were prepared by the reaction of (SnRRRCl)-R-1-R-2-Cl-3 (where R = alkyl/aryl/Cl) and Ph2P(O)XP(O)Ph-2 ligands (where X = diamine). All the compounds were characterized by NMR and IR spectroscopy. X-Ray crystallography confirms that the bridging ligand produces binuclear complexes with SnPh3Cl acceptors in C-a3 and C-a4 and offers a polymeric structure toward SnMe2Cl2 in C-c5. The synthesized compounds were screened for the antibacterial activity against B. cereus and E. coli. Based on the MIC test, the ligands are devoid of antibacterial activity. Notably, among the complexes, triphenyltin adducts exhibited a marked activity only against Gram-positive bacterium B. Cereus (IC50 = 0.78 mu g/mL for C-a3 and C-a5). DFT-QSAR models revealed that the descriptor of the electrophilicity (omega) parameter is correlated with the inhibition activity on B. cereus. The correlation matrix of QSAR models and docking analysis confirmed that the electrophilicity parameter controls the influence of the net charge (Q(Sn)) and polarizability of Sn atom of complexes on the inhibition of B. cereus. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2015.09.030
• 作为产物：
  描述：

  哌嗪 、 二苯基次膦酰氯 在 三乙胺 作用下， 反应 24.0h， 生成 (piperazine-1,4-diylbis(diphenylphosphine oxide))
  参考文献：
  名称：

  Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations

  摘要：

  三苯基锡（IV）与二磷酰基配体RR′P(O)–X–P(O)RR′的加合物被引入。利用几何和理论分析讨论了配体结构对配合物晶体堆积和Sn-O相互作用的影响。

  DOI：

  10.1039/c4ra12925c

文献信息

• Triphenyltin(<scp>iv</scp>) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations
  作者：K. Gholivand、A. Gholami、A. A. V. Ebrahimi、S. T. Abolghasemi、M. D. Esrafili、F. T. Fadaei、K. J. Schenk

  DOI：10.1039/c4ra12925c

  日期：——

  Triphenyltin(iv) adducts of diphosphoryl ligands, RR′P(O)–X–P(O)RR′, were introduced. The influence of the ligand structures on the crystal packing of the complexes and Sn-O interactions was discussed using geometrical and theoretical analysis.

  三苯基锡（IV）与二磷酰基配体RR′P(O)–X–P(O)RR′的加合物被引入。利用几何和理论分析讨论了配体结构对配合物晶体堆积和Sn-O相互作用的影响。
• A highly efficient gas-dominated and water-resistant flame retardant for non-charring polypropylene
  作者：Zhu-Bao Shao、Ming-Xin Zhang、Ye Han、Xu-Dong Yang、Jing Jin、Rong-Kun Jian

  DOI：10.1039/c7ra09868e

  日期：——

  Traditional phosphorus–nitrogen (P–N) flame-retardant systems for polypropylene (PP) always act through joint action of the gaseous phase and condensed phase, and are accompanied with a decrease of the thermal stability and water resistance. In this work, a novel mono-component and gas-dominated flame retardant, named DPPIP, was prepared through an amidation reaction of diphenylphosphinyl chloride

  聚丙烯（PP）的传统磷-氮（PN）阻燃系统总是通过气相和缩合相的共同作用而起作用，并伴随着热稳定性和耐水性的下降。在这项工作中，通过二苯基次膦酰氯和哌嗪的酰胺化反应制备了一种新型的单组分气体主导型阻燃剂DPPIP，并将其用于阻燃PP。实验结果证实，PP / DPPIP的热稳定性和耐水性均得到改善。在空气气氛下，重量减少5 wt％时，PP / 25 wt％DPPIP的初始热分解温度为287.5°C，高于纯PP（266.1°C）。此外，耐水性测试证实PP / 25重量％的DPPIP的重量损失仅为约0.52重量％。更重要的是，PP / 25 wt％DPPIP的阻燃性能大大提高，通过了V-0等级（UL-94）。此外，在耐水测试之后，PP / 25 wt％DPPIP的LOI值几乎没有差异，仍然通过了UL-94 V-0等级。锥形量热仪（CC）结果表明DPPIP对抑制PP在燃烧过程中的放热具有积极作用。
• Relations between Structural and Luminescence Properties of Novel Lanthanide Nitrate Complexes with Bis-phosphoramidate Ligands
  作者：Khodayar Gholivand、Mahdieh Hosseini、Yazdan Maghsoud、Jan Valenta、Ali Asghar Ebrahimi Valmuzi、Agata Owczarzak、Maciej Kubicki、Morteza Jamshidi、Mohammad Kahnouji

  DOI：10.1021/acs.inorgchem.8b03611

  日期：2019.5.6

  Five new bisphosphoramide-based LnIII nitrate complexes [La2(NO3)6L3I]n (1), [Ce2(NO3)6L3I]n (2), [Sm2(NO3)6L3II]n (3), Sm2(NO3)6L3III (4), and Er(NO3)3L2III (5) [LI = piperazine-1,4-diylbis(diphenyl phosphine oxide), LII = N,N′-(ethane-1,2-diyl)bis(N-methyl-P,P-diphenylphosphinic amide, and LIII = N,N′-(ethane-1,2-diyl)bis(P,P-diphenylphosphinic amide)] have been synthesized and characterized by elemental

  五个新的基于双磷酰胺的Ln III硝酸盐络合物[La 2（NO 3）6 L 3 I ] n（1），[Ce 2（NO 3）6 L 3 I ] n（2），[Sm 2（NO 3）6 L 3 II ] n（3），Sm 2（NO 3）6 L 3 III（4）和Er（NO 3）3 L 2 III（5）[ L I =哌嗪-1,4-二基双（二苯基氧化膦），L II = N，N '-（乙烷-1,2-二基）双（N-甲基-P，对-二苯基次膦酰胺，并且L III = N，N ′-（乙烷-1,2-二基）双（P，P-二苯基次膦酰胺）]已通过元素分析，红外光谱，热重分析（TGA）以及单晶X射线和粉末衍射进行了合成和表征。X射线衍射分析的结果显示了新的L III多晶型物，以及固态合成的配合物的结构多样性。配合物1 - 3显示的二维配位聚合物（2D-CP），与蜂窝（6,3）拓扑结构含有层。在这些2D-CP的，每个LN中心（
• Method to prepare phosphoramides, and resin compositions containing them
  申请人：——

  公开号：US20020019466A1

  公开（公告）日：2002-02-14

  The present invention relates to a method for preparing phosphoramides having a glass transition temperature in one embodiment of at least about 0° C., in another embodiment of at least about 10° C., and in still another embodiment of at least about 20° C., the phosphoramides being substantially free of acidic, basic, or halide impurities, or their precursors. The invention also relates to resin compositions comprising at least one thermoplastic resin and at least one phosphoramide having a glass transition temperature of at least about 0° C., wherein the phosphoramide is prepared by the method of the invention.

  本发明涉及一种制备磷酰胺的方法，其中在一种实施方式中，磷酰胺的玻璃转变温度至少为约0℃，在另一种实施方式中，至少为约10℃，在还另一种实施方式中，至少为约20℃，该磷酰胺基本上不含有酸性、碱性或卤素杂质或其前体。本发明还涉及至少包括一种热塑性树脂和至少一种具有玻璃转变温度至少约为0℃的磷酰胺的树脂组合物，其中该磷酰胺是由本发明的方法制备的。
• In vitro cytotoxicity evaluation of organotin(IV) complexes derived from bisphosphoramide ligand: DNA binding and molecular docking studies
  作者：Mahsa Pooyan、Zahra Shariatinia、Fahimeh Mohammadpanah、Khodayar Gholivand、‬‬Michal Dusek、Vaclav Eigner、Mohammad Satari、Ali Asghar Ebrahimi Valmoozi

  DOI：10.1016/j.molliq.2023.123442

  日期：2023.12

  Considering the valuable position of organotins and the biotic role of phosphorus compounds in biological processes, in this research work, we investigated and introduced a new class of anticancer candidates based on organotin(IV) complexes derived from bisphosphoramide ligands. Four selected complexes were prepared from the reaction of SnMe2Cl2 (C1), SnBu3Cl (C2), SnPh2Cl2 (C3), and SnPh3Cl (C4) metal

  考虑到有机锡的宝贵地位以及磷化合物在生物过程中的生物作用，在这项研究工作中，我们研究并推出了一类基于双磷酰胺配体衍生的有机锡（IV）复合物的新型抗癌候选药物。通过 SnMe 2 Cl 2 ( C1 )、SnBu 3 Cl ( C2 )、SnPh 2 Cl 2 ( C3 ) 和 SnPh 3 Cl ( C4 ) 金属盐与哌嗪-1,4-二基双 (二苯基膦氧化物）配体（LP）。使用光谱技术对新合成的复合物进行了表征。通过X射线晶体学测定了C1结构的单晶。还使用电子吸收滴定和竞争性荧光猝灭技术探索了化合物与 DNA 的结合潜力，这表明复合物和 CT-DNA 存在强烈的相互作用。化合物对三阴性人乳腺癌（MDA-MB-231）细胞的细胞毒性试验证明，三种复合物C2、C3和C4对降低癌细胞活力有非常显着的影响，其中C4具有最大的抗癌作用。 与参考顺铂药物 ( IC 50 = 19 µM) 相比，活性( IC