N-(5-溴吡啶-2-基)-3-(5-溴吡啶-2-基)亚氨基异吲哚-1-胺 | 61702-11-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: N-(5-溴吡啶-2-基)-3-(5-溴吡啶-2-基)亚氨基异吲哚-1-胺
• 英文名称: 1,3-bis-(5-bromo-2-pyridylimino)isoindoline
• 英文别名: 11-Br-bis(2-pyridylimino)isoindole；1,3-bis(5-bromo-2-pyridylimino)isoindole；(3E)-N-(5-bromopyridin-2-yl)-3-(5-bromopyridin-2-yl)iminoisoindol-1-amine
• CAS: 61702-11-2
• 化学式: C₁₈H₁₁Br₂N₅
• 分子量: 457.127
• InChiKey: ZNSXSXFUKKWPMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酸钼(II)二聚体 、 N-(5-溴吡啶-2-基)-3-(5-溴吡啶-2-基)亚氨基异吲哚-1-胺 以 甲醇 为溶剂， 生成 dimolybdenum(bis(5-bromopyridylimino)isoindoline(OAc)3)
  参考文献：
  名称：

  Trends in δ → δ* energies and intensities in bis(arylimino)isoindoline complexes of dimolybdenum

  摘要：

  It has been found that the delta --> delta* band in the electronic absorption spectra of a series of bis(arylimino)isoindoline dimolybdenum complexes, Mo2(BAII)(OAc)3, follows three trends. First, as the energy of the band decreases across the series its intensity increases. Second, as electron-releasing groups are added to the aryl portion of the ligand the energy of the band increases, while addition of electron-releasing groups decreases its energy. Third, as the parent aryl group becomes a better pi-acceptor the band's energy decreases. These three trends are taken to indicate that the energy of the delta --> delta* band in this series of compounds is determined by mixing of a ligand-to-metal charge-transfer transition with the original delta --> delta* transition.

  DOI：

  10.1016/s0277-5387(00)81593-4
• 作为产物：
  描述：

  1,2-二氰基苯 以27%的产率得到
  参考文献：
  名称：

  SIEGL W. O., J. ORG. CHEM. , 1977, 42, NO 11, 1872-1878

  摘要：

  DOI：

文献信息

• Synthesis, Structures and Catalytic Properties of Bis(2‐pyridylimino)‐ isoindolatopalladium Complexes
  作者：Bettina Siggelkow、Markus B. Meder、Christian H. Galka、Lutz H. Gade

  DOI：10.1002/ejic.200400179

  日期：2004.9

  the crude product 2b with aqueous sodium carbonate solution led to the formation of the dinuclear carbonato-bridged complex [(11-Me-BPI)Pd}2(μ-CO3)] (3) which was characterized by an X-ray structure analysis. Reaction of 11-Br-BPI (1c) with a large excess (6 equiv.) of the acetylenes Me3SiCCH, Ph3SiCCH and PhCCH under Sonogashira conditions gave the alkynylated derivatives 11-(Me3SiCC)-BPI (4a), 11-(Ph3SiCC)-BPI

  双(2-吡啶亚氨基)异吲哚衍生物(10-Me)-BPI(1a)、(11-Me)-BPI(1b)、(11-Br)-BPI(1c)、(4-Me)-的反应BPI (1d) 和 4-Me-10-tBuBPI (1e) 与 [PdCl2(PhCN)2] 和三乙胺在苯中得到方形平面钯 (II) 配合物 [PdCl(10-Me)-BPI}] ( 2a), [PdCl(11-Me)-BPI}] (2b), [PdCl(11-Br)-BPI}] (2c), [PdCl(4-MeBPI)] (2d) 和 [PdCl( 4-Me-10-tBuBPI)] (2e)，分别。用碳酸钠水溶液萃取粗产物 2b 导致形成双核碳桥络合物 [(11-Me-BPI)Pd}2(μ-CO3)] (3)，其特征在于 X-射线结构分析。11-Br-BPI (1c) 与大量过量（6 当量）的乙炔 Me3SiCCH、Ph3SiCCH
• Allylic Peroxidations with Bis(2-pyridylimino)isoindolato-Cobalt and -Iron Complexes
  作者：Markus B. Meder、Bettina A. Siggelkow、Lutz H. Gade

  DOI：10.1002/zaac.200400253

  日期：2004.10

  Bis(2-pyridylimino)isoindolato-Cobalt- und -Eisen-Komplexen Mehrere neuartige Cobalt(II)- und Eisen(II)-Komplexe mit substituierten Bis(2-pyridylimino)isoindolato-(BPI)-liganden, [M(BPI)(OAc)(H2O)] (M = Co: 1 - 6, Fe: 7) sind durch Reaktion von Bis(2-pyridylimino)isoindol-Derivativen mit den entsprechenden Metall(II)-Acetaten synthetisiert worden. Die Umsetzung der Verbindungen 1-6 mit 1.5 - 2 Molaquivalenten an t-BuOOH

  几种新型取代双（2-吡啶亚氨基）异吲哚（BPI）钴（II）和铁（II）配合物[M（BPI）（OAc）（H2O）]（M = Co：1 - 6，Fe：7）通过双（2-吡啶亚氨基）异吲哚衍生物与相应的金属（II）乙酸盐反应合成。1-6与1.5-2摩尔当量的t-BuOOH反应得到相应的烷基过氧钴(III)配合物[Co(BPI)(OAc)(OOtBu)](10-15)。使用 t-BuOOH (70%) 的水溶液，环己烯被选择性地催化氧化成二烷基过氧化物 cyclohex-2-ene-1-t-丁基过氧化物。双 (2-吡啶亚氨基) 异吲哚合钴和铁配合物的烯丙基过氧化 几种新型钴 (II) 和铁 (II) 配合物与取代的双 (2-吡啶亚氨基) 异吲哚 (BPI) 配体 [M (BPI)(OAc)(H2O) )] (M = Co: 1 - 6, Fe: 7）通过双（2-吡啶亚氨基）异吲哚衍生物与相应的金属（II）乙酸盐反应合成。化合物1-6与1
• Trends in δ → δ* energies and intensities in bis(arylimino)isoindoline complexes of dimolybdenum
  作者：D.M. Baird、K.Y. Shih

  DOI：10.1016/s0277-5387(00)81593-4

  日期：1991.1

  It has been found that the delta --> delta* band in the electronic absorption spectra of a series of bis(arylimino)isoindoline dimolybdenum complexes, Mo2(BAII)(OAc)3, follows three trends. First, as the energy of the band decreases across the series its intensity increases. Second, as electron-releasing groups are added to the aryl portion of the ligand the energy of the band increases, while addition of electron-releasing groups decreases its energy. Third, as the parent aryl group becomes a better pi-acceptor the band's energy decreases. These three trends are taken to indicate that the energy of the delta --> delta* band in this series of compounds is determined by mixing of a ligand-to-metal charge-transfer transition with the original delta --> delta* transition.
• SIEGL W. O., J. ORG. CHEM. <JOCE-AH>, 1977, 42, NO 11, 1872-1878
  作者：SIEGL W. O.

  DOI：——

  日期：——