3-imino-5-amino-3H-isoindol-1-ylamine

• 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: 3-imino-5-amino-3H-isoindol-1-ylamine
• 英文别名: 1-imino-1H-isoindole-3,6-diamine；3-iminoisoindole-1,5-diamine
• 化学式: C₈H₈N₄
• mdl: MFCD20730093
• 分子量: 160.178
• InChiKey: OYBGIZAJPJRUQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  zinc diacetate 、 4-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)phthalonitrile 、 3-imino-5-amino-3H-isoindol-1-ylamine 在 六甲基二硅氮烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 zinc;16,25,34-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,11,20,29,39,40-hexaza-37,38-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-amine
  参考文献：
  名称：

  WO2007/9101

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氨基邻苯二甲腈 在 氨 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 20.0h， 以90%的产率得到3-imino-5-amino-3H-isoindol-1-ylamine
  参考文献：
  名称：

  Synthesis of novel unsymmetrical monoaminated phthalocyanines

  摘要：

  Metal-free monoaminophthalocyanine 3 was synthesised by reacting of subphthalocyanine 1 with 5-amino-1,3-diiminoisoindoline 2. Alternatively, compound 3 was prepared from octadecylaminodiiminoisoindoline 6 by reaction with 1 to give 7 followed by acidic hydrolisis. The zinc complex 8 was obtained from 3 by treatment with anhydrous zinc acetate. The preparation of 8 by template condensation of subphthalocyanine 1 with aminodiiminoisoindoline 2 and zinc acetate was unsuccessful. In this case, a mixture of statistical distribution compounds was obtained. A tentative reaction pathway for the condensation between subphthalocyanines and diiminoisoindolines is also given.

  DOI：

  10.1016/0040-4039(95)01781-c

文献信息

• Tetraazaporphyrin-based compounds and their uses
  申请人：Hammer Robert P.

  公开号：US08524891B2

  公开（公告）日：2013-09-03

  Asymmetrically substituted metal-phthalocyanine compounds are disclosed. These compounds and other phthalocyanine-derivatives are used in bioimaging, bioanalysis, FRET and quenching techniques, photodynamic therapy, DNA analysis for cells, proteins, tissues and other biological entities, and other applications. Near-infrared fluorescence minimizes matrix effects typically seen in other methods of analyzing biochemical entities in cells, proteins, tissues and other biological entities.

  本发明揭示了不对称取代的金属酞菁化合物。这些化合物和其他酞菁衍生物被用于生物成像、生物分析、FRET和淬灭技术、光动力疗法、细胞、蛋白质、组织和其他生物实体的DNA分析以及其他应用。近红外荧光最小化了通常在其他方法中分析细胞、蛋白质、组织和其他生物实体的生化实体时所见到的基质效应。
• Tetraazaporphyrin-Based Compounds and Their Uses
  申请人：Hammer Robert P.

  公开号：US20090215105A1

  公开（公告）日：2009-08-27

  Asymmetrically substituted metal-phthalocyanine compounds are disclosed. These compounds and other phthalo-cyanine-derivatives are used in bioimaging, bioanalysis, FRET and quenching techniques, photodynamic therapy, DNA analysis for cells, proteins, tissues and other biological entities, and other applications. Near-infrared fluorescence minimizes matrix effects typically seen in other methods of analyzing biochemical entities in cells, proteins, tissues and other biological entities.

  本发明揭示了非对称取代的金属酞菁化合物。这些化合物和其他酞菁衍生物可用于生物成像、生物分析、FRET和淬灭技术、光动力疗法、细胞、蛋白质、组织和其他生物实体的DNA分析以及其他应用。近红外荧光最小化了通常在细胞、蛋白质、组织和其他生物实体中分析生化实体的其他方法中看到的基质效应。
• Carboxylate and heat-sensitive recording material using same
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0679640A1

  公开（公告）日：1995-11-02

  A carboxylate is herein disclosed which is represented by the formula (1) or (2) wherein a ring X is an aromatic residue which may have a substituent; A is =NH or -(OR³ or OR⁴) (wherein each of R³ and R⁴ is independently an alkyl group having 1 to 8 carbon atoms which may have a substituent, and R³ and R⁴ may bond to each other to form a ring); R¹ is a hydrogen atom, an alkyl group having 1 to 20 carbon atoms which may have a substituent, an aralkyl group which may have a substituent, or an aryl group which may have a substitutent, but when A is =NH, R¹ is an aryl group which may have a substituent; and R² is an alkyl group having 1 to 8 carbon atoms which may have a substituent. A heat-sensitive recording material comprising this carboxylate is excellent in the stability of the color image and can provide an optically character-readable sharp color image.

  本文公开了一种羧酸盐，由式（1）或（2）表示 其中环 X 是可具有取代基的芳香残基；A 是＝NH 或-(OR³ 或 OR⁴)（其中 R³ 和 R⁴ 各自独立地是具有 1 至 8 个碳原子的烷基，可具有取代基，且 R³ 和 R⁴ 可相互键合形成环）；R¹是氢原子、具有 1 至 20 个碳原子的烷基（可带有取代基）、芳烷基（可带有取代基）或芳基（可带有取代基），但当 A =NH 时，R¹是芳基（可带有取代基）；以及 R² 是具有 1 至 8 个碳原子的烷基（可带有取代基）。由这种羧酸盐组成的热敏记录材料在彩色图像的稳定性方面非常出色，可以提供光学字符可读的清晰彩色图像。
• Utilisation de dérivés de la Di-imino-isoindoline ou de la 3-amino-isoindolone pour la teinture des fibres kératiniques et compositions de teinture les renfermant
  申请人：L'OREAL

  公开号：EP0847749B1

  公开（公告）日：1999-12-01
• PROCEDE DE TEINTURE METTANT EN OEUVRE UN COMPOSE A METHYLENE ACTIF SPECIFIQUE ET UN COMPOSE CHOISI PARMI UN ALDEHYDE SPECIFIQUE, UNE CETONE SPECIFIQUE, UNE QUINONE ET UN DERIVE DE LA DI-IMINO-ISOINDOLINE OU DE LA 3-AMINO-ISOINDOLONE
  申请人：L'OREAL

  公开号：EP1056433B1

  公开（公告）日：2005-05-11