5-(2,2-二甲基丙氧基)-3-亚氨基异吲哚-1-胺 | 93672-99-2

• 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: 5-(2,2-二甲基丙氧基)-3-亚氨基异吲哚-1-胺
• 英文名称: 5-neopentoxy-1,3-diiminoisoindoline
• 英文别名: 6-(2,2-Dimethylpropoxy)-1-imino-1H-isoindol-3-amine；5-(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine
• CAS: 93672-99-2
• 化学式: C₁₃H₁₇N₃O
• 分子量: 231.297
• InChiKey: NEXFHKRPMUAGMG-UHFFFAOYSA-N

物化性质

• 熔点：
  200-203 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• 沸点：
  378.9±44.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  71.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(2,2-二甲基丙氧基)-3-亚氨基异吲哚-1-胺 在 劳森试剂 、 ammonium chloride 作用下， 以 1,4-二氧六环 、 水 、 甲苯 为溶剂， 反应 48.5h， 生成 酞青
  参考文献：
  名称：

  Leznoff, Clifford C.; Greenberg, Shafrira; Khouw, Ben, Canadian Journal of Chemistry, 1987, vol. 65, p. 1705 - 1713

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-dicyano-4-(neopentyloxy)benzene 在 氨 作用下， 生成 5-(2,2-二甲基丙氧基)-3-亚氨基异吲哚-1-胺
  参考文献：
  名称：

  平面双核酞菁及其二甲酚衍生物

  摘要：

  描述了无金属的平面双核酞菁及其钴衍生物的合成，表征和分子内相互作用。

  DOI：

  10.1039/c39870000699

文献信息

• Synthesis, spectroscopy, electrochemistry, spectroelectrochemistry, Langmuir-Blodgett film formation, and molecular orbital calculations of planar binuclear phthalocyanines
  作者：Nagao Kobayashi、Herman Lam、W. Andrew Nevin、Pavel Janda、Clifford C. Leznoff、Toshiki Koyama、Atsushi Monden、Hirofusa Shirai

  DOI：10.1021/ja00082a007

  日期：1994.2

  A planar binuclear phthalocyanine and its dizinc and dicobalt derivatives, in which two phthalocyanine units share a common benzene ring, have been studied by spectroscopy, electrochemistry, and spectroelectrochemistry. Their Langmuir-Blodgett film-forming properties have been examined, and the results of molecular orbital calculations on these and related systems are also presented. The properties

  已经通过光谱学、电化学和光谱电化学研究了平面双核酞菁及其二锌和二钴衍生物，其中两个酞菁单元共享一个公共苯环。已经检查了它们的 Langmuir-Blodgett 成膜特性，并且还介绍了这些系统和相关系统的分子轨道计算结果。将这些特性与相应的单核对照分子的特性进行比较。紫外-可见-近红外吸收和磁性圆二色光谱以及循环和微分脉冲伏安法表明，在这些化合物中，两个相对独立的发色团单元相互作用，因此两个酞菁平面在溶液中不是完全平面的
• A planar binuclear phthalocyanine and its dicobalt derivatives
  作者：Clifford C. Leznoff、Herman Lam、Sebastian M. Marcuccio、W. Andrew Nevin、Pavel Janda、Nagao Kobayashi、A. B. P. Lever

  DOI：10.1039/c39870000699

  日期：——

  The synthesis, characterisation, and intramolecular interactions of a metal-free planar binuclear phthalocyanine and its cobalt derivatives are described.

  描述了无金属的平面双核酞菁及其钴衍生物的合成，表征和分子内相互作用。
• Selective Synthesis of Binuclear and Trinuclear Phthalocyanines Covalently Linked by a One Atom Oxygen Bridge
  作者：Shafrira Greenberg、Sebastian M. Marcuccio、Clifford C. Leznoff、Kenneth B. Tomer

  DOI：10.1055/s-1986-31654

  日期：——

  The diiminoisoindolines obtained from 4-neopentoxyphthalonitrile and bis[3, 4-dicyanophenyl] ether gave, in a mixed condensation reaction, binuclear and trinuclear phthalocyanines covalently linked by one atom oxy bridges with the dimer predominating. The underivatized 4-neopentoxyphthalonitrile condensed with the diiminoisoindoline of bis[3,4-dicyanophenyl] ether in a cross reaction to give the same dimer and trimeric phthalocyanines but the trimer predominated in this reaction. A cobalt derivative of bis-2-[19,16,23-trineopentoxyphthalocyaninyl] ether, the binuclear phthalocyanine, was prepared. All phthalocyanines exhibited parent ions in their fast atom bombardment mass spectra.

  由4-新戊氧基邻苯二甲腈和双[3,4-二氰基苯基]醚获得的二亚氨基异吲哚啉在混合缩合反应中产生通过单原子氧桥共价连接的双核和三核酞菁，其中二聚体占主导地位。未衍生化的4-新戊氧基邻苯二甲腈与双[3,4-二氰基苯基]醚的二亚氨基异吲哚啉在交叉反应中缩合，得到相同的二聚体和三聚酞菁，但在该反应中以三聚体为主。制备了双-2-[19,16,23-三新戊氧基酞菁]醚的钴衍生物，即双核酞菁。所有酞菁在其快原子轰击质谱中均显示出母离子。
• Phthalocyanine-modified silica gels and their application in the purification of unsymmetrical phthalocyanines
  作者：Clifford C. Leznoff、Colin R. McArthur、Yongnian Qin

  DOI：10.1139/v93-170

  日期：1993.9.1

  Five species of phthalocyanine-modified silica gels were prepared. The loadings of phthalocyanine on these silica gels were determined by acidic hydrolysis. The concept of using the aggregation phenomenon to advantage to aid chromatographic separation of unsymmetrical phthalocyanines was investigated by employing these modified silica gels as chromatographic media to purify unsymmetrical phthalocyanines. Four groups of phthalocyanine mixtures were prepared by mixed condensation. One of the desired unsymmetrical phthalocyanines was successfully purified by conventional column chromatography while others were separated by the new method described herein.

  制备了五种苯酞菁修饰的硅凝胶。通过酸性水解确定了苯酞菁在这些硅凝胶上的负载量。利用这些修饰的硅凝胶作为色谱介质，探讨利用聚集现象有利于帮助色谱分离非对称苯酞菁的概念。通过混合缩合制备了四组苯酞菁混合物。其中一种期望的非对称苯酞菁通过传统柱层析成功纯化，而其他混合物则通过本文所述的新方法分离。
• Leznoff, Clifford C.; Marcuccio, Sebastian M.; Greenberg, Shafrira, Canadian Journal of Chemistry, 1985, vol. 63, p. 623 - 631
  作者：Leznoff, Clifford C.、Marcuccio, Sebastian M.、Greenberg, Shafrira、Lever, A. B. P.、Tomer, Kenneth B.

  DOI：——

  日期：——