4,7-dichloro-2,9-bis(trichloromethyl)-1,10-phenanthroline | 1311162-36-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 4,7-dichloro-2,9-bis(trichloromethyl)-1,10-phenanthroline
• 英文别名: 4,7-Dichloro-2,9-bis(trichloromethyl)-1,10-phenanthroline
• CAS: 1311162-36-3
• 化学式: C₁₄H₄Cl₈N₂
• 分子量: 483.823
• InChiKey: LOGGIVHAGJGRFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,7-dichloro-2,9-bis(trichloromethyl)-1,10-phenanthroline 在 硫酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 4,7-dichloro-N(2),N(9)-di(quinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide
  参考文献：
  名称：

  有效合成4,7-二氨基取代的1,10-菲咯啉-2,9-二甲酰胺

  摘要：

  描述了通用的中间体4，7-二氯-1，10-菲咯啉-2，9-二羧酸的方便且高产率的多谱合成。该中间体被进一步有效地衍生为具有潜在的G-四链体稳定作用的4,7-二氨基-1,10-菲咯啉-2,9-二甲酰胺。

  DOI：

  10.1021/ol201321z
• 作为产物：
  描述：

  在 N-氯代丁二酰亚胺 、 二苯醚 、 三氯氧磷 、 过氧化苯甲酰 作用下， 以 氯仿 为溶剂， 反应 8.5h， 生成 4,7-dichloro-2,9-bis(trichloromethyl)-1,10-phenanthroline
  参考文献：
  名称：

  N,N′-Dialkyl-N,N′-diaryl-1,10-phenanthroline-2,9-dicarboxamides as donor ligands for separation of rare earth elements with a high and unusual selectivity. DFT computational and experimental studies

  摘要：

  这些二酰胺化合物经过预测（DFT模拟），然后被证明是用于分离镧系元素的高效给体配体。

  DOI：

  10.1039/c5cc01620g

文献信息

• Exploring electronic effects on the partitioning of actinides(<scp>iii</scp>) from lanthanides(<scp>iii</scp>) using functionalised bis-triazinyl phenanthroline ligands
  作者：Alyn C. Edwards、Christoph Wagner、Andreas Geist、Neil A. Burton、Clint A. Sharrad、Ralph W. Adams、Robin G. Pritchard、Petra J. Panak、Roger C. Whitehead、Laurence M. Harwood

  DOI：10.1039/c6dt02474b

  日期：——

  5,8,8-tetramethyl-5,6,7,8-tetrahydro-1,2,4-benzo-triazin-3-yl)-1,10-phenanthroline (CyMe4-BTPhen) ligands are reported herein. Evaluating the kinetics, selectivity and stoichiometry of actinide(III) and lanthanide(III) radiotracer extractions has provided a mechanistic insight into the extraction process. For the first time, it has been demonstrated that metal ion extraction kinetics can be modulated

  4,7-二取代的2,9-双（5,5,8,8-四甲基-5,6,7,8-四氢-1,2,4-苯并三嗪-3-基）的第一个例子本文报道了1，10-菲咯啉（CyMe 4 -BTPhen）配体。评估动力学，选择性和锕系元素的化学计量（III）和镧系元素（III）的放射性示踪剂提取提供了对提取过程的机械洞察力。首次证明，可以通过主链官能团调节金属离子的萃取动力学，并且已经鉴定出具有增强的金属离子萃取动力学的有希望的新的符合CHON的候选配体。4,7-官能化对平衡金属离子分布比的影响远比5,6-官能化的影响更为明显。通过TRLFS研究了Cm（III）与两个官能化配体的络合，并且在平衡时仅观察到化学计量为1：2 [M：L]的物种。E LUMO – E HOMO之间的直接关联 报告了能隙和金属离子的提取潜力，DFT研究证实了实验结果。
• TRACERS FOR PETROLEUM RESERVOIRS
  申请人：Saudi Arabian Oil Company

  公开号：US20190226326A1

  公开（公告）日：2019-07-25

  The disclosure features methods of analyzing a fluid extracted from a reservoir, the methods including introducing a first composition featuring a first complexing agent into a reservoir at a first location, extracting a fluid from the reservoir at a second location different from the first location, combining the fluid with a second composition featuring a concentration of a lanthanide ion to form a third composition featuring a concentration of a complex formed by the first complexing agent and the lanthanide ion, exposing a quantity of the complex to electromagnetic radiation for a first time period ending at a time to, detecting fluorescence emission from the quantity of the complex for a second time period starting at a time t 1 >t 0 , where t 1 −t 0 is greater than 2 microseconds, and determining information about a fluid flow path between the first location and the second location.

  该披露涉及分析从储层中提取的流体的方法，该方法包括在第一位置向储层引入具有第一络合剂的第一组成物，从与第一位置不同的第二位置提取储层中的流体，将流体与具有镧系离子浓度的第二组成物结合，形成具有第一络合剂和镧系离子形成的络合物浓度的第三组成物，将一定量的络合物暴露于电磁辐射中，持续第一时间段直至时间to，检测来自一定量络合物的荧光发射，持续第二时间段，从时间t1>t0开始，其中t1−t0大于2微秒，并确定第一位置和第二位置之间的流体流动路径的信息。
• Tracers for petroleum reservoirs
  申请人：Saudi Arabian Oil Company

  公开号：US11230919B2

  公开（公告）日：2022-01-25

  The disclosure features methods of analyzing a fluid extracted from a reservoir, the methods including introducing a first composition featuring a first complexing agent into a reservoir at a first location, extracting a fluid from the reservoir at a second location different from the first location, combining the fluid with a second composition featuring a concentration of a lanthanide ion to form a third composition featuring a concentration of a complex formed by the first complexing agent and the lanthanide ion, exposing a quantity of the complex to electromagnetic radiation for a first time period ending at a time t0, detecting fluorescence emission from the quantity of the complex for a second time period starting at a time t1>t0, where t1−t0 is greater than 2 microseconds, and determining information about a fluid flow path between the first location and the second location.

  本公开的特征是分析从储层中提取的流体的方法，该方法包括在第一位置将具有第一络合剂的第一组合物引入储层，在不同于第一位置的第二位置从储层中提取流体，将流体与具有镧系离子浓度的第二组合物结合以形成具有由第一络合剂和镧系离子形成的络合物浓度的第三组合物、将一定量的络合物暴露于电磁辐射中，第一时间段结束于时间 t0，检测一定量的络合物在第二时间段的荧光发射，第二时间段开始于时间 t1>t0，其中 t1-t0 大于 2 微秒，确定第一位置和第二位置之间的流体流动路径信息。
• [EN] TRACERS FOR PETROLEUM RESERVOIRS<br/>[FR] TRACEURS POUR RÉSERVOIRS DE PÉTROLE
  申请人：SAUDI ARABIAN OIL CO

  公开号：WO2019143917A2

  公开（公告）日：2019-07-25

  The disclosure features methods of analyzing a fluid extracted from a reservoir, the methods including introducing a first composition featuring a first complexing agent into a reservoir at a first location, extracting a fluid from the reservoir at a second location different from the first location, combining the fluid with a second composition featuring a concentration of a lanthanide ion to form a third composition featuring a concentration of a complex formed by the first complexing agent and the lanthanide ion, exposing a quantity of the complex to electromagnetic radiation for a first time period ending at a time t0, detecting fluorescence emission from the quantity of the complex for a second time period starting at a time t1 > t0, where t1-t0 is greater than 2 microseconds, and determining information about a fluid flow path between the first location and the second location.
• N,N′-Dialkyl-N,N′-diaryl-1,10-phenanthroline-2,9-dicarboxamides as donor ligands for separation of rare earth elements with a high and unusual selectivity. DFT computational and experimental studies
  作者：Yu. A. Ustynyuk、N. E. Borisova、V. A. Babain、I. P. Gloriozov、A. Y. Manuilov、S. N. Kalmykov、M. Yu. Alyapyshev、L. I. Tkachenko、E. V. Kenf、N. A. Ustynyuk

  DOI：10.1039/c5cc01620g

  日期：——

  These diamides were predicted (DFT simulation) and then were proved to be efficient donor ligands for the separation of lanthanides.

  这些二酰胺化合物经过预测（DFT模拟），然后被证明是用于分离镧系元素的高效给体配体。