9-(bis(4-(2,4,4-trimethylpentane-2-yl)phenyl)amino)perylene-3,4-dicarboxylic acid anhydride | 937040-95-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 9-(bis(4-(2,4,4-trimethylpentane-2-yl)phenyl)amino)perylene-3,4-dicarboxylic acid anhydride
• 英文别名: 9-(bis(4-(2,4,4-trimethylpentane-2-yl)phenyl)amino)-perylene-3,4-dicarboxy anhydride；9-(di-p-tert-octylphenyl)amino-perylene-3,4-dicarboxy anhydride；5-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]-16-oxahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
• CAS: 937040-95-4
• 化学式: C₅₀H₅₁NO₃
• 分子量: 713.96
• InChiKey: WWPRHAUMRVVPEU-UHFFFAOYSA-N

物化性质

• 沸点：
  826.7±58.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.2
• 重原子数：
  54
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-(bis(4-(2,4,4-trimethylpentane-2-yl)phenyl)amino)perylene-3,4-dicarboxylic acid anhydride 、 对氨基苯甲酸 在 zinc diacetate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 48.0h， 以16%的产率得到4-[15,17-dioxo-5-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaen-16-yl]benzoic acid
  参考文献：
  名称：

  Use of Rylene Derivatives as Photosensitizers in Solar Cells

  摘要：

  使用以下变量定义的莱伦衍生物I的用途： X一起 两者都是-COOM; Y是一个基团 -L-NR 1 R 2 (y1) -L-Z-R 3 (y2) 另一个基团是氢; 一起 两者都是氢; R可选择地被取代为(het)芳氧基，(het)芳基硫基; P是-NR 1 R 2 ; B是烷基; 可选择地被取代的苯基; 它们的组合; A是-COOM; -SO 3 M; -PO 3 M 2 ; D可选择地被取代为苯基，萘基，吡啶基; M是氢; 碱金属阳离子; [NR 5 ] 4 + ; L是化学键; 可选择地间接键合，可选择地被取代的(het)芳基基团; R 1 ，R 2 可选择地被取代的(环)烷基，(het)芳基; 一起可选择地被取代的环，其中包括氮原子; Z是-O-; -S-; R 3 可选择地被取代的烷基，(het)芳基; R′是氢; 可选择地被取代的(环)烷基，(het)芳基; R 5 是氢; 可选择地被取代的烷基(het)芳基; m为0, 1, 2; n, p, m=0: 0, 2, 4其中：n+p=2, 4，如果适用为0; m=1: 0, 2, 4其中：n+p=0, 2, 4; m=2: 0, 4, 6其中：n+p=0, 4, 6， 或者作为太阳能电池中的光敏剂的混合物。

  公开号：

  US20080269482A1
• 作为产物：
  描述：

  N-(2,6-diisopropylphenyl)-9-[bis(4-tert-octyl)phenyl]aminoperylene-3,4-dicarboximide 在 氢氧化钾 、 盐酸 、 水 作用下， 以 异丙醇 为溶剂， 反应 48.5h， 以18%的产率得到9-(bis(4-(2,4,4-trimethylpentane-2-yl)phenyl)amino)perylene-3,4-dicarboxylic acid anhydride
  参考文献：
  名称：

  Use of Rylene Derivatives as Photosensitizers in Solar Cells

  摘要：

  使用以下变量定义的莱伦衍生物I的用途： X一起 两者都是-COOM; Y是一个基团 -L-NR 1 R 2 (y1) -L-Z-R 3 (y2) 另一个基团是氢; 一起 两者都是氢; R可选择地被取代为(het)芳氧基，(het)芳基硫基; P是-NR 1 R 2 ; B是烷基; 可选择地被取代的苯基; 它们的组合; A是-COOM; -SO 3 M; -PO 3 M 2 ; D可选择地被取代为苯基，萘基，吡啶基; M是氢; 碱金属阳离子; [NR 5 ] 4 + ; L是化学键; 可选择地间接键合，可选择地被取代的(het)芳基基团; R 1 ，R 2 可选择地被取代的(环)烷基，(het)芳基; 一起可选择地被取代的环，其中包括氮原子; Z是-O-; -S-; R 3 可选择地被取代的烷基，(het)芳基; R′是氢; 可选择地被取代的(环)烷基，(het)芳基; R 5 是氢; 可选择地被取代的烷基(het)芳基; m为0, 1, 2; n, p, m=0: 0, 2, 4其中：n+p=2, 4，如果适用为0; m=1: 0, 2, 4其中：n+p=0, 2, 4; m=2: 0, 4, 6其中：n+p=0, 4, 6， 或者作为太阳能电池中的光敏剂的混合物。

  公开号：

  US20080269482A1

文献信息

• Self-Assembly, Dynamics, and Phase Transformation Kinetics of Donor−Acceptor Substituted Perylene Derivatives
  作者：Nikos Tasios、Christos Grigoriadis、Michael Ryan Hansen、Henrike Wonneberger、Chen Li、Hans W. Spiess、Klaus Müllen、George Floudas

  DOI：10.1021/ja102150g

  日期：2010.6.2

  are frozen as revealed by the value of the dynamic order parameters and the reduced strength of dipolar relaxation. The kinetics of phase transformation from the isotropic to the ordered phase proceeds via a nucleation and growth mechanism, and the rates are dominated by the nucleation barrier. Within the isotropic phase the core dynamics display strong temperature dependence with rates that depend on

  通过 X 射线散射、量热法和位点特定的固态 NMR 技术，在一系列二苯胺官能化苝单酰亚胺 (PMI) 中研究了烷基链取代对相形成和核心动力学的作用。此外，与分子的供体-受体特征相关的强偶极子允许使用介电光谱研究动力学。自组装仅在具有支链烷基链的 PMI 中显示出有序相。该阶段包括分子扭曲角为 60 度的螺旋状分子堆叠。固态核磁共振的结果进一步指出了分子内氢键在稳定有序相内的柱内填料方面的重要性。而且，正如动态有序参数的值和偶极弛豫强度的降低所揭示的那样，核心动力学被冻结。从各向同性相到有序相的相变动力学通过成核和生长机制进行，并且速率受成核势垒支配。在各向同性相内，核心动力学显示出强烈的温度依赖性，其速率取决于烷基链中亚甲基单元的数量。
• Boron containing perylene monoimides, a process for their production, their use as building blocks for the production of perylene monoimide derivatives, monoimide derivatives and their use in dye-sensitized solar cells
  申请人：BASF SE

  公开号：US08816081B2

  公开（公告）日：2014-08-26

  Boron-comprising perylene monoimides and a process for producing the boron-comprising perylene monoimides are provided. The boron-comprising perylene monoimides are useful as building blocks for producing perylene monoimide derivatives and monoimide derivatives. The boron-comprising perylene monoimides are also useful for preparing dye-sensitized solar cells.

  提供了含硼的苝单亚胺和生产含硼的苝单亚胺的方法。含硼的苝单亚胺可用作生产苝单亚胺衍生物和单亚胺衍生物的基础。含硼的苝单亚胺也可用于制备染料敏化太阳能电池。
• [EN] BORON CONTAINING PERYLENE MONOIMIDES, PROCESS FOR THEIR PRODUCTION, THEIR USE AS BUILDING BLOCKS FOR PRODUCTION OF PERYLENE MONOIMIDE DERIVATIVES, MONOIMIDE DERIVATIVES AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS<br/>[FR] MONOIMIDES DE PÉRYLÈNE CONTENANT DU BORE, LEUR PROCÉDÉ DE PRODUCTION, LEUR UTILISATION COMME ÉLÉMENTS CONSTITUTIFS DANS LA PRODUCTION DE DÉRIVÉS DE MONOMIDES DE PÉRYLÈNE, DÉRIVÉS DE MONOIMIDES ET LEUR UTILISATION DANS DES CELLULES SOLAIRES À COLORANT
  申请人：BASF SE

  公开号：WO2014024074A1

  公开（公告）日：2014-02-13

  Compounds of general formula I, II, III and IV: Formula (I) wherein the variables have the meaning given in the description, and a process for the preparation of compounds of general formula I, II, III and IV are disclosed. The use of the compounds of general formulae II, III and IV each prepared according to the abovementioned processes and of compounds of general formulae II, III and IV per se for the preparation of dye-sensitized solar cells; and such dye-sensitized solar cells per se are disclosed.

  公式I，II，III和IV的化合物：公式（I）其中变量具有说明中给出的含义，并公开了制备公式I，II，III和IV的化合物的过程。根据上述过程制备的公式II，III和IV的化合物以及公式II，III和IV的化合物本身的使用，用于制备染料敏化太阳能电池；并公开了这样的染料敏化太阳能电池本身。
• USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS
  申请人：Pschirer Neil Gregory

  公开号：US20100207072A1

  公开（公告）日：2010-08-19

  The present invention relates to the use of compounds of the general formula (I) in which the variables are each defined as follows: X are joined to one another with formation of a six-membered ring to give a radical of the formula (x1), (x2) or (x3) both are each a —CWWM radical; Y one of the two radicals is either a radical of the formula (y1) -L-NR 1 R 2 (y1) or a radical of the formula (y2) -L-Z—R 3 (y2) and the other radical is hydrogen; are joined to one another with formation of a six-membered ring to give a radical of the formula (y3) or (y4) or both are hydrogen; W are each independently O or S; W′ is O, S or N—R′, with the proviso that at least one of the variables W or W in the general formula I is defined as S; R, P, B, A, D, M, L, Z, R 1 , R 2 , R 3 and R′ are each defined as specified in the description; m is 1, 2, 3 or 4; n is 0, 2 or 4 when m=1, 2 or 3; is 0, 2, 4 or 6 when m=4; p is 0, 2 or 4 when m=1, 2 or 3, where n+p=0, 2 or 4; is 0, 2, 4 or 6 when m=4, where n+p=0, 2, 4 or 6, as active materials in solar cells or photodetectors. The present invention further relates to the use of mixtures comprising, as components, K1) compounds of the general formula (I) as electron donors or electron acceptors and K2) one or more compounds which, with respect to component K1, act correspondingly as electron acceptors or electron donors for producing photoactive layers for solar cells or photodetectors. In addition, the present invention relates to the use of compounds of the general formula (I) as photosensitizers in solar cells or photodetectors. Moreover, the present invention relates to solar cells and photodetectors which comprise compounds of the formula (I) or the aforementioned mixtures, and also to compounds of the general formula (I) and the aforementioned mixtures.
• USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES
  申请人：Bergmann Hermann

  公开号：US20110297235A1

  公开（公告）日：2011-12-08

  The present invention relates to the use of compounds of the general formula I in which A 1 , A 2 , A 3 are each independently divalent organic units which may comprise one, two or three optionally substituted aromatic or heteroaromatic groups, where, in the case of two or three aromatic or heteroaromatic groups, two of these groups in each case are joined to one another by a chemical bond and/or via a divalent alkyl radical, R 1 , R 2 , R 3 are each independently R, OR, NR 2 , A 3 -OR or A 3 -NR 2 substituents, R is alkyl, aryl or a monovalent organic radical which may comprise one, two or three optionally substituted aromatic or heteroaromatic groups, where, in the case of two or three aromatic or heteroaromatic groups, two of these groups in each case are joined to one another by a chemical bond and/or via a divalent alkyl or NR′ radical, R′ is alkyl, aryl or a monovalent organic radical which may comprise one, two or three optionally substituted aromatic or heteroaromatic groups, where, in the case of two or three aromatic or heteroaromatic groups, two of these groups in each case are joined to one another by a chemical bond and/or via a divalent alkyl radical, and n at each instance in formula I is independently 0, 1, 2 or 3, with the proviso that the sum of the individual values n is at least 2 and at least two of the R 1 , R 2 and R 3 radicals are OR and/or NR 2 substituents, as hole-conducting materials in organic solar cells. The present invention further relates to organic solar cells which comprise these compounds.