1,3-di(3'-methyl-2'-pyridyl)iminoisoindoline | 61702-00-9

• 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
• 英文名称: 1,3-di(3'-methyl-2'-pyridyl)iminoisoindoline
• 英文别名: 1-N,3-N-bis(3-methylpyridin-2-yl)isoindole-1,3-diimine
• CAS: 61702-00-9
• 化学式: C₂₀H₁₇N₅
• 分子量: 327.388
• InChiKey: ZIKRYCKKYBZLNG-UHFFFAOYSA-N

物化性质

• 熔点：
  135-136 °C
• 沸点：
  548.9±60.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-di(3'-methyl-2'-pyridyl)iminoisoindoline 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 以77 %的产率得到
  参考文献：
  名称：

  三种氧化还原态双(吡啶亚氨基)异吲哚啉碱金属配合物的合成与表征

  摘要：

  这项工作报告了还原氧化态的BPI 和 Me 2 BPI碱金属配合物的合成和表征。CV、EPR 和 XRD 研究揭示了有关 BPI 未知低氧化态的详细信息，BPI 在配位化学中已得到充分证实，但迄今为止仅处于氧化还原中性状态。

  DOI：

  10.1002/ejic.202300315
• 作为产物：
  描述：

  1,2-二氰基苯 以82%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

• Improved process for producing 1,3-bis(2-pyridylimino)isoindolines and compositions containing transition metal complexes thereof
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0048024A1

  公开（公告）日：1982-03-24

  There are disclosed an improved process for preparing a composition consisting essentially of at least one transition metal complex of a 1,3-bis(2-pyridylimino)isoindoline comprising contacting in a molten phase a 1,2-dicyanobenzene with at least one 2-aminopyridine in the presence of a transition metal complex and an improved process for preparing the 1,3-bis(2-pyridylimino)isoindoline ligand from the same starting materials comprising contacting in a molten phase said starting materials, optionally in the presence of an alkaline earth metal carbonate.

  本发明公开了一种制备主要由至少一种 1,3-双(2-吡啶亚氨基)异吲哚啉的过渡金属络合物组成的组合物的改进工艺，该工艺包括在过渡金属络合物存在下，将 1,2-二氰基苯与至少一种 2-氨基吡啶在熔融相中接触；以及一种从相同起始材料制备 1,3-双(2-吡啶亚氨基)异吲哚啉配体的改进工艺，该工艺包括在碱土金属碳酸盐存在下，将上述起始材料在熔融相中接触。
• Visible‐Light Activation of Diorganyl Bis(pyridylimino) Isoindolide Aluminum(III) Complexes and Their Organometallic Radical Reactivity
  作者：Jonas O. Wenzel、Johannes Werner、Alexander Allgaier、Joris van Slageren、Israel Fernández、Andreas‐Neil Unterreiner、Frank Breher

  DOI：10.1002/anie.202402885

  日期：2024.5.6

  This work reports on the synthesis of varied bis(pyridylimino) isoindolide aluminum complexes and a detailed study of its charge-transfer induced metal-carbon bond homolysis in a transition-metal mimicking fashion as well as following reactivity studies.

  这项工作报告了各种双（吡啶亚氨基）异吲哚啉铝配合物的合成，并以模拟过渡金属的方式详细研究了其电荷转移诱导的金属-碳键均裂，以及随后的反应性研究。
• Bautista, Dorothy V.; Bullock, Graham; Hartstock, Frederick W., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 345 - 347
  作者：Bautista, Dorothy V.、Bullock, Graham、Hartstock, Frederick W.、Thompson, Laurence K.

  DOI：——

  日期：——
• Tetra-, penta- and hexacoordinate copper(II) complexes with N3 donor isoindoline-based ligands: Characterization and SOD-like activity
  作者：József S. Pap、Balázs Kripli、Vanda Bányai、Michel Giorgi、László Korecz、Tamás Gajda、Dávid Árus、József Kaizer、Gábor Speier

  DOI：10.1016/j.ica.2011.06.001

  日期：2011.10

  Reaction of 1,3-bis(2'-Ar-imino)isoindolines (HLn, n = 1-7, Ar = benzimidazolyl, N-methylbenzimidazolyl, thiazolyl, pyridyl, 3-methylpyridyl, 4-methylpyridyl, and benzthiazolyl, respectively) with Cu(OCH3)(2) yields mononuclear hexacoordinate complexes with Cu(L-n)(2) composition. With cupric perchlorate square-pyramidal [Cu-II(HLn)(NCCH3)(OClO3)]ClO4 complexes (n = 1, 3, 4) were isolated as perchlorate salts, whereas with chloride Cu-II(HLn)Cl-2 (n = 1, 4), or square-planar (CuCl2)-Cl-II(HLn) (n = 2, 3, 7) complexes are formed. The X-ray crystal structures of Cu(L-3)(2), Cu(L-5)(2), [Cu-II(HL4)(NCCH3)(OClO3)]ClO4, (CuCl)-Cl-II(L-2) and (CuCl)-Cl-II(L-7) are presented along with electrochemical and spectral (UV-Vis, FT-IR and X-band EPR) characterization for each compound. When combined with base, the isoindoline ligands in the [Cu-II(HLn)(NCCH3)(OClO3)]ClO4 complexes undergo deprotonation in solution that is reversible and induces UV-Vis spectral changes. Equilibrium constants for the dissociation are calculated. X-band EPR measurements in frozen solution show that the geometry of the complexes is similar to the corresponding X-ray crystallographic structures. The superoxide scavenging activity of the compounds determined from the McCord-Fridovich experiment show dependence on structural features and reduction potentials. (C) 2011 Elsevier B.V. All rights reserved.
• BAUTISTA, D. V.;BULLOCK, G.;HARTSTOCK, F. W.;THOMPSON, L. K., J. HETEROCYCL. CHEM., 1983, 20, N 2, 345-347
  作者：BAUTISTA, D. V.、BULLOCK, G.、HARTSTOCK, F. W.、THOMPSON, L. K.

  DOI：——

  日期：——