N-N'-bis(2,6-diisopropylphenyl)-1,7-(4'-t-butylphenoxy)perylene-3,4:9,10-bis(dicarboximide) | 1268375-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: N-N'-bis(2,6-diisopropylphenyl)-1,7-(4'-t-butylphenoxy)perylene-3,4:9,10-bis(dicarboximide)
• 英文别名: N,N′-bis(2,6-diisopropylphenyl)-1,7-di(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxylic bisimide；N,N'-bis(2,6-diisopropylphenyl)-1,7-bis(p-tert-butylphenoxy)-perylene-3,4,9,10-tetracarboxydiimide；11,22-Bis(4-tert-butylphenoxy)-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone；11,22-bis(4-tert-butylphenoxy)-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• CAS: 1268375-20-7
• 化学式: C₆₈H₆₆N₂O₆
• 分子量: 1007.28
• InChiKey: RPDIMUVGCLQMPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.7
• 重原子数：
  76
• 可旋转键数：
  12
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  93.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,6-二异丙基苯胺 在 硫酸 、 碘 、 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 140.0h， 生成 N-N'-bis(2,6-diisopropylphenyl)-1,7-(4'-t-butylphenoxy)perylene-3,4:9,10-bis(dicarboximide)
  参考文献：
  名称：

  Synthesis and characterization of some perylene dyes for dye-based LCD color filters

  摘要：

  Eight red perylene dyes were synthesized to improve the optical performance of LCD color filters. Among them, dyes with bulky functional substituents at the bay and terminal positions were highly soluble in cyclohexanone, the industrial solvent currently used in the pigment dispersion method. The spectral properties and thermal stability of the dye-based color filters with these dyes were examined by comparing them with pigment-based ones. The prepared color filters exhibited superior spectral properties due to the smaller particle size of the dyes, which led to less light scattering. However, their thermal stability varied with the dye structures, and only the dyes mono-substituted at the bay position had sufficient thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2010.11.006

文献信息

• Substitution Effects on the Photoinduced Charge-Transfer Properties of Novel Perylene-3,4,9,10-tetracarboxylic Acid Derivatives
  作者：Damla Inan、Rajeev K. Dubey、Nick Westerveld、Jorrit Bleeker、Wolter F. Jager、Ferdinand C. Grozema

  DOI：10.1021/acs.jpca.7b03806

  日期：2017.6.22

  tuning the electron deficiency of perylene core. A comprehensive study of the photophysical properties of these molecules has shown a highly systematic trend in the magnitude of CT as a function of increased electron deficiency of the perylene core and solvent polarity. Importantly, just by changing the attachment of electron-donating group from “bay” to “imide” position, we are able to block the CT

  我们在这里报告了一系列电子供体-受体分子的合成和光物理研究，其中给电子体的4-甲氧基苯氧基与四个不同的per四羧酸衍生物（即per四酯1）的1,7-bay位置相连，per单酰亚胺二酯2，bi双酰亚胺3和per单苯并咪唑单酰亚胺4。使用这些per衍生物是因为它们从1移至4时电子接受能力的顺序增加。通过将供电子的4-甲氧基苯基连接到per单酰亚胺二酯2的酰亚胺位置上，可以合成另外两个供体-受体分子per二酰亚胺3。进行这项研究的动机是通过改变电子给体的位置并调节core核的电子缺陷来实现对per基体系中光诱导电荷转移（CT）过程的良好控制。对这些分子的光物理性质的全面研究表明，CT值的高系统性趋势是the原子核的电子缺乏和溶剂极性增加的函数。重要的是，仅通过将供电子基团的连接从“托架”位置更改为“酰亚胺”位置，我们就可以阻止CT过程。这意味着电子给体在per核上的定位强烈影响动力学的CT扫描过
• Long-term stable photoactive composition, such as phosphorescent composition or TTA-photon upconversion composition
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2851407A1

  公开（公告）日：2015-03-25

  A long-term stable photoactive composition, such as a phosphorescent composition or a TTA-photon upconversion composition, contains at least one compound, which has a triplet state capable of energy transfer via an emissive process or a non-emissive process, and at least one compound capable of reacting with singlet oxygen, wherein the at least one compound capable of reacting with singlet oxygen comprises at least one terminal unsaturated carbon-carbon bond, and wherein the at least one compound capable of reacting with singlet oxygen is contained in the composition in such an amount that the number of terminal unsaturated carbon-carbon bonds is at least 100 times higher in the composition than the number of molecules of all compounds having a triplet state capable of energy transfer via an emissive process or a non-emissive process.

  一种长期稳定的光活性组合物，如磷光组合物或 TTA 光子上转换组合物，包含至少一种化合物，该化合物具有能够通过发射过程或非发射过程进行能量转移的三重态，以及至少一种能够与单线态氧反应的化合物，其中至少一种能够与单线态氧反应的化合物包含至少一个末端不饱和碳-碳键、其中至少一种能与单线态氧反应的化合物在组合物中的含量，使组合物中末端不饱和碳-碳键的数量比所有具有能通过发射过程或非发射过程进行能量转移的三重态的化合物分子数量至少高 100 倍。
• CAPSULE SUITABLE FOR NON-INVASIVE SIMULTANEOUS OXYGEN CONTENT AND TEMPERATURE SENSING IN A LIVING OBJECT
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP3072942A1

  公开（公告）日：2016-09-28

  A capsule suitable for oxygen and temperature sensing contains: i) at least one first sensitizer compound being capable of energy transfer to triplet oxygen, ii) at least one compound being capable of reacting with and inactivating singlet oxygen, iii) at least one second sensitizer compound being capable of absorbing radiation at a second frequency v2 and of emitting light at a fourth frequency v4, iv) at least one emitter compound, wherein the at least one second sensitizer compound is capable of transferring energy to the at least one emitter compound and wherein the at least one emitter compound, after obtaining energy transferred from the at least one second sensitizer compound, is capable of emitting light at a third frequency v3, wherein the following equation is fulfilled: v3>v2, wherein the upper energy limit of the first triplet energy band of the first sensitizer compound is lower than the lower energy limit of the second triplet energy band of the second sensitizer compound and lower than the lower energy limit of the third triplet energy band of the emitter compound, and wherein the third triplet band of the emitter compound at least partially overlaps with the second triplet energy band of the second sensitizer compound.

  适用于氧气和温度传感的胶囊包含 i) 至少一种能与三重态氧发生能量转移的第一敏化剂化合物、 至少一种能与单线态氧反应并使其失活的化合物、 iii) 至少一种第二敏化剂化合物能够以第二频率 v2 吸收辐射，并以第四频率 v4 发射光、 iv) 至少一种发射器化合物，其中至少一种第二敏化剂化合物能够将能量传递给至少一种发射器化合物，其中至少一种发射器化合物在获得至少一种第二敏化剂化合物传递的能量后，能够以第三频率 v3 发射光，其中满足以下等式：v3>v2、 其中，第一敏化剂化合物的第一三重能带的能量上限低于第二敏化剂化合物的第二三重能带的能量下限，且低于发射器化合物的第三三重能带的能量下限，发射器化合物的第三三重能带至少与第二敏化剂化合物的第二三重能带部分重叠。
• Capsule suitable for non-invasive simultaneous oxygen content and temperature sensing in a living object
  申请人：MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V.

  公开号：US10739334B2

  公开（公告）日：2020-08-11

  A capsule suitable for oxygen and temperature sensing contains: i) at least one first sensitizer compound being capable of energy transfer to triplet oxygen, ii) at least one compound being capable of reacting with and inactivating singlet oxygen, iii) at least one second sensitizer compound being capable of absorbing radiation at a second frequency v2 and of emitting light at a fourth frequency v4, iv) at least one emitter compound, wherein the at least one second sensitizer compound is capable of transferring energy to the at least one emitter compound and wherein the at least one emitter compound, after obtaining energy transferred from the at least one second sensitizer compound, is capable of emitting light at a third frequency v3, wherein the following equation is fulfilled: v3>v2, wherein the upper energy limit of the first triplet energy band of the first sensitizer compound is lower than the lower energy limit of the second triplet energy band of the second sensitizer compound and lower than the lower energy limit of the third triplet energy band of the emitter compound, and wherein the third triplet band of the emitter compound at least partially overlaps with the second triplet energy band of the second sensitizer compound.

  适用于氧气和温度传感的胶囊包括 i) 至少一种能与三重态氧发生能量转移的第一敏化剂化合物、 至少一种能与单线态氧反应并使其失活的化合物、 iii) 至少一种第二敏化剂化合物能够以第二频率 v2 吸收辐射，并以第四频率 v4 发射光、 iv) 至少一种发射器化合物，其中至少一种第二敏化剂化合物能够将能量传递给至少一种发射器化合物，其中至少一种发射器化合物在获得至少一种第二敏化剂化合物传递的能量后，能够以第三频率 v3 发射光，其中满足以下等式：v3>v2、 其中，第一敏化剂化合物的第一三重能带的能量上限低于第二敏化剂化合物的第二三重能带的能量下限，且低于发射器化合物的第三三重能带的能量下限，发射器化合物的第三三重能带至少与第二敏化剂化合物的第二三重能带部分重叠。
• LONG-TERM STABLE PHOTOACTIVE COMPOSITION, SUCH AS PHOSPHORESCENT COMPOSITION OR TTA-PHOTON UPCONVERSION COMPOSITION
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP3049502B1

  公开（公告）日：2020-04-01