4,7-di(hexyl)-1,3-dihydro-1,3-diiminoisoindoline | 198141-52-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,7-di(hexyl)-1,3-dihydro-1,3-diiminoisoindoline
• 英文别名: 4,7-dihexyl-3-iminoisoindol-1-amine
• CAS: 198141-52-5
• 化学式: C₂₀H₃₁N₃
• 分子量: 313.486
• InChiKey: DNWMWCGHVIJQPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.19
• 重原子数：
  23.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  59.73
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4,7-di(hexyl)-1,3-dihydro-1,3-diiminoisoindoline 、 copper(l) chloride 反应 4.0h， 以9.5 g的产率得到1,4,8,11,15,18,22,25-octa-n-hexylphthalocyaninatocopper
  参考文献：
  名称：

  リンフタロシアニン化合物

  摘要：

  【问题】提供一种在近红外领域具有强烈吸收，可见光领域吸收非常小，耐久性高，对有机溶剂和树脂具有良好溶解性的磷酞菁化合物，可广泛用于近红外吸收材料。 【解决方案】磷酞菁化合物，具有直链或分支的烷基的菲咯啉骨架，以及在菲咯啉中心元素上用两个烷氧基取代的P，具有单价阴离子基Br-，PF6-，CH3SO3-等。 【选图】无。

  公开号：

  JP2017031397A

文献信息

• Study of Substituent Effects on the Photoconductivity of Soluble 2,(3)- and 1,(4)-Substituted Phthalocyaninato- and Naphthalocyaninatotitanium(IV) Oxides
  作者：Götz Winter、Heino Heckmann、Peter Haisch、Wolfgang Eberhardt、Michael Hanack、Larry Lüer、Hans-Joachim Egelhaaf、Dieter Oelkrug

  DOI：10.1021/ja981644y

  日期：1998.11.1

  Soluble alkyl (II, 8a,b), fluoroalkyl,(4a), and fluoroalkoxy (4b,c, 8c) 1,(4)- or 2,(3)-substituted phthalocyaninato- and linear 2,(3)- and-angular 1,(2)-annulated naphthalocyaninatotitanium(IV) oxides 10, 12, and 14 were synthesized and characterized with regard to their spectroscopic, photophysical, and photochemical properties. While alkyl- and fluoroalkoxy-substituted compounds are highly soluble in nonpolar solvents, e.g., hexane, fluoroalkyl-substituted compounds are better soluble in polar aprotic solvents such as acetone. The stability against photooxidation in solution is' enhanced on going-from alkylated phthalocyanines 1,(4)-(C(5)H(11))(8)PcTiO (8a), 1,(4)-(C(6)H(13))(8)PcTiO (4b), and 2,(3)-(C(4)H(9))(8)PcTiO (II) to fluorinated phthalocyanines 2,(3)-(CF(3))(4)PcTiO (4a), 2,(3)-(CF(3)CH(2)O)(4)PcTiO (4b), and 2,(3)-(CF(3)CH(2)O)(8)PcTiO (4c), from phthalocyanines to naphthalocyanines (tert-butyl)(4)-2,(3)-NcTiO (10), 1,(2)-NcTiO (12), and (tert-butyl)(4)-1,(2)-NdTiO (14), and on going from 2,(3)-substituted 4a-c to 1,(4)-substituted phthalocyanines 8a-c. Thin films of these compounds, prepared by either vacuum deposition or spin casting, are classified into three types according to increasing intermolecular pi-pi interactions. Type alpha films, characterized:by absence of exciton splitting, are formed from 1,(4)-substituted phthalocyanines 8a-c. These films show low dark conductivities and photoconductivities and are considerably sensitive to photooxidation. Type beta films, characterized by weak exciton splitting, are formed from fluorinated phthalocyanines 4a-c as well as from rapidly deposited 2,(3)-substituted phthalocyanines II and the unsubstituted PcTiO (I). These films show enhanced photoconductivity and are generally more stable against photooxidation than type alpha films. Type gamma films, formed by slow deposition of II, 10 and unsubstituted phthalocyanine I, are classified by a largely red-shifted B-band absorbing in the near-IR. These films are highly photosensitive as well as stabilized against photooxidation. Steady-state photoconductivities and dark conductivities in thin films are strongly dependent on oxygen partial pressure. Alkylated PcTiO's such as 8a, 8b, and II are found to be p-type conductors (positive oxygen influence on conductivities) like unsubstituted PcTiO (I), whereas angularly annulated naphthalocyanines such as 12 and 14 as well as fluorinated PcTiO's 4a-c are n-type conductors (negative oxygen influence on conductivity). These findings are rationalized by comparison with experimental and theoretical literature data.