di(p-tolyl)(3-pyridyl)amine | 325989-55-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: di(p-tolyl)(3-pyridyl)amine
• 英文别名: ditolyl-3-pyridylamine；N,N-bis(4-methylphenyl)pyridin-3-amine
• CAS: 325989-55-7
• 化学式: C₁₉H₁₈N₂
• 分子量: 274.365
• InChiKey: UTHGCYCALQEENM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 顺-双(2,2'-二吡啶基)二氯化钌(II)二水合物 、 di(p-tolyl)(3-pyridyl)amine 在 LiCl 作用下， 以 乙醇 、 水 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Role of Ruthenium Oxidation States in Ligand-to-Ligand Charge Transfer Processes

  摘要：

  We describe in this paper the properties of [Ru-II/III(bpy)(2)ClL](+1/+2) and [Ru-II/III(bpy)(2)L-2](+2/+3). L = ditolyl-3-pyridylamine (dt3pya) is a redox active ligand related to triarylamines, which is very similar to 3-aminopyridine except for the reversible redox behavior. The monosubstituted complex shows a metal-to-ligand charge-transfer (MLCT) at 502 nm, and reversible waves in acetonitrile at E-0(Ru-III/II) = 1.07 V, E-0(L+/0) = 1.46 V (NHE). The disubstituted complex shows an MLCT at 461 nm, a photorelease of dt3pya with quantum yield of 0.11 at 473 nm, and two reversible one-electron overlapped waves at 1.39 V associated with one of the ligands (1.37 V) and Ru-III/II (1.41 V). Further oxidation of the second ligand at 1.80 V forms a 2,2'-bipiridine derivative, in an irreversible reaction similar to dimerization of triphenylamine to yield tetraphenylbenzidine. In the dioxidized state, the spectroelectrochemistry of the disubstituted complex shows a ligand-to-ligand charge transfer at 1425 nm, with a transition moment of 1.25 angstrom and an effective two-state coupling of 1200 cm(-1). No charge transfer between ligands was observed when Ru was in a 2+ oxidation state. We propose that a superexchange process would be involved in ligand-metal-ligand charge transfer, when ligands and metals are engaged in complementary pi interactions, as in metal-ligand-metal complexes. Best orbital matching occurs when metallic donor fragments are combined with acceptor ligands and vice versa. In our case, Ru-III bridge (an acceptor) and two dt3pya (donors, one of them being oxidized) made the complex a Robin-Day Class II system, while the Ru-II bridge (a donor, reduced) was not able to couple two dt3pya (also donors, one oxidized).

  DOI：

  10.1021/ic200966f
• 作为产物：
  描述：

  3-碘吡啶 、 4,4'-二甲基二苯胺 在 copper(l) iodide 、 1,10-菲罗啉 、 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以65%的产率得到di(p-tolyl)(3-pyridyl)amine
  参考文献：
  名称：

  Role of Ruthenium Oxidation States in Ligand-to-Ligand Charge Transfer Processes

  摘要：

  We describe in this paper the properties of [Ru-II/III(bpy)(2)ClL](+1/+2) and [Ru-II/III(bpy)(2)L-2](+2/+3). L = ditolyl-3-pyridylamine (dt3pya) is a redox active ligand related to triarylamines, which is very similar to 3-aminopyridine except for the reversible redox behavior. The monosubstituted complex shows a metal-to-ligand charge-transfer (MLCT) at 502 nm, and reversible waves in acetonitrile at E-0(Ru-III/II) = 1.07 V, E-0(L+/0) = 1.46 V (NHE). The disubstituted complex shows an MLCT at 461 nm, a photorelease of dt3pya with quantum yield of 0.11 at 473 nm, and two reversible one-electron overlapped waves at 1.39 V associated with one of the ligands (1.37 V) and Ru-III/II (1.41 V). Further oxidation of the second ligand at 1.80 V forms a 2,2'-bipiridine derivative, in an irreversible reaction similar to dimerization of triphenylamine to yield tetraphenylbenzidine. In the dioxidized state, the spectroelectrochemistry of the disubstituted complex shows a ligand-to-ligand charge transfer at 1425 nm, with a transition moment of 1.25 angstrom and an effective two-state coupling of 1200 cm(-1). No charge transfer between ligands was observed when Ru was in a 2+ oxidation state. We propose that a superexchange process would be involved in ligand-metal-ligand charge transfer, when ligands and metals are engaged in complementary pi interactions, as in metal-ligand-metal complexes. Best orbital matching occurs when metallic donor fragments are combined with acceptor ligands and vice versa. In our case, Ru-III bridge (an acceptor) and two dt3pya (donors, one of them being oxidized) made the complex a Robin-Day Class II system, while the Ru-II bridge (a donor, reduced) was not able to couple two dt3pya (also donors, one oxidized).

  DOI：

  10.1021/ic200966f

文献信息

• INHIBITORS OF FILOVIRUS ENTRY INTO HOST CELLS
  申请人：Basu Arnab

  公开号：US20120189614A1

  公开（公告）日：2012-07-26

  Organic compounds showing the ability to inhibit viral glycoprotein (GP)-mediated entry of a filovirus into a host cell are disclosed. The disclosed filovirus entry inhibitor compounds are useful for treating, preventing, or reducing the spread of infections by filovirus including the type species Marburg virus (MARV) and Ebola virus (EBOV). Preferred inhibitors of the invention provide therapeutic agents for combating the Ivory Coast, Sudan, Zaire, Bundibugyo, and Reston Ebola virus strains.

  本发明揭示了有机化合物，表现出抑制病毒糖蛋白（GP）介导的菲罗病毒进入宿主细胞的能力。所揭示的菲罗病毒进入抑制剂化合物可用于治疗、预防或减少菲罗病毒感染的传播，包括类型种马尔堡病毒（MARV）和埃博拉病毒（EBOV）。本发明的优选抑制剂为治疗象牙海岸、苏丹、扎伊尔、邦迪布吉奥和雷斯顿埃博拉病毒株提供治疗剂。
• PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20170117099A1

  公开（公告）日：2017-04-27

  A photoelectric conversion element including an electrically conductive support, a photoconductor layer including an electrolyte, a charge transfer layer including an electrolyte, and a counter electrode, in which the photoconductor layer has semiconductor fine particles carrying a metal complex dye represented by Formula (I). Also disclosed are a dye-sensitized solar cell; a metal complex dye, a dye solution, and a terpyridine compound or an esterified product thereof: M(LA)(LD)(LX) mX .(CI) mY Formula (I) wherein M represents a metal ion, LA represents a tridentate ligand represented by Formula (AL-1) as defined herein, LD represents a bidentate or tridentate ligand, at least one of coordinating atoms in LD bonded to the metal ion M is a nitrogen atom, at least one of the coordinating atoms is an anion, LX represents a monodentate ligand, mX represents 0 or 1, CI represents a counterion, and mY represents an integer of 0 to 3:
• US9101635B2
  申请人：——

  公开号：US9101635B2

  公开（公告）日：2015-08-11
• [EN] INHIBITORS OF FILOVIRUS ENTRY INTO HOST CELLS<br/>[FR] INHIBITEURS D'ENTRÉE DE FILOVIRUS DANS DES CELLULES HÔTES
  申请人：MICROBIOTIX INC

  公开号：WO2011046646A2

  公开（公告）日：2011-04-21

  Organic compounds showing the ability to inhibit viral glycoprotein (GP)-mediated entry of a filovirus into a host cell are disclosed. The disclosed filovirus entry inhibitor compounds are useful for treating, preventing, or reducing the spread of infections by filovirus including the type species Marburg virus (MARV) and Ebola virus (EBOV). Preferred inhibitors of the invention provide therapeutic agents for combating the Ivory Coast, Sudan, Zaire, Bundibugyo, and Reston Ebola virus strains.