Tetraheptyl 8,22-dithiaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene-3,5,11,13-tetracarboxylate | 1569101-24-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: Tetraheptyl 8,22-dithiaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene-3,5,11,13-tetracarboxylate
• 英文别名: tetraheptyl 8,22-dithiaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene-3,5,11,13-tetracarboxylate
• CAS: 1569101-24-1
• 化学式: C₅₂H₆₄O₈S₂
• 分子量: 881.207
• InChiKey: KUVGKWASEMXONI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.1
• 重原子数：
  62
• 可旋转键数：
  32
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  162
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  Tetraheptyl 8,22-dithiaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene-3,5,11,13-tetracarboxylate 在 溶剂黄146 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 水 、 异丙醇 为溶剂， 反应 5.73h， 生成 3,5,11,13-Tetrabromo-8,22-dithiaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1,3,5,7(19),9(18),10,12,14,16,20-decaene
  参考文献：
  名称：

  Toward Perylene Dyes by the Hundsdiecker Reaction

  摘要：

  An efficient method to synthesize 3,4,9,10-tetrabromoperylenes is reported under optimized Hunsdiecker conditions. Various octasubstituted perylenes were obtained by reaction of 1,6,7,12-tetrachloro-3,4,9,10-tetrabromoperylene with phenol, trimethylsilyl chloride, cooper cyanide, or sulfur via metal-catalyzed couplings or nucleophilic substitutions. These new perylenes show completely different optical and redox properties, thus opening a facile way to develop new chromophophore structures.

  DOI：

  10.1021/ol5008586
• 作为产物：
  描述：

  1,6,7,12-四氯-3,4,9,10-苝四甲酸二酐 在 四(三苯基膦)钯 、 双(三丁基锡)硫醚 、 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 26.67h， 生成 Tetraheptyl 8,22-dithiaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene-3,5,11,13-tetracarboxylate
  参考文献：
  名称：

  CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF

  摘要：

  本发明提供了式（3）和（1）的化合物，其中n为0或1，R11和R12相同，选自CN、OR300、Si（R301）3、NHR302、NR303R304、SR305和R306的组成，或者R11和R12一起选自（a）、（b）和（c），X为Cl、Br或I，以及一种制备式（3）化合物的方法，包括将式（1）化合物作为关键中间体。

  公开号：

  US20150225418A1

文献信息

• CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF
  申请人：BASF SE

  公开号：US20150225418A1

  公开（公告）日：2015-08-13

  The present invention provides the compounds of formulae (3) and (1), wherein n is 0 or 1, R 11 and R 12 are the same and are selected from the group consisting of CN, OR 300 , Si(R 301 ) 3 , NHR 302 , NR 303 R 304 , SR 305 and R 306 , or R 11 and R 12 together are selected from the group consisting of (a), (b), and (c) and X is Cl, Br or I, and a process for the preparation of compounds of formula (3) comprising the compounds of formula (1) as key intermediates.

  本发明提供了式（3）和（1）的化合物，其中n为0或1，R11和R12相同，选自CN、OR300、Si（R301）3、NHR302、NR303R304、SR305和R306的组成，或者R11和R12一起选自（a）、（b）和（c），X为Cl、Br或I，以及一种制备式（3）化合物的方法，包括将式（1）化合物作为关键中间体。
• PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF
  申请人：BASF SE

  公开号：EP2890668B1

  公开（公告）日：2019-08-21
• US9382264B2
  申请人：——

  公开号：US9382264B2

  公开（公告）日：2016-07-05
• [EN] CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF<br/>[FR] DÉRIVÉS DE NAPHTALÈNE ET DE PÉRYLÈNE PRÉPARÉS DE FAÇON PRATIQUE UTILISÉS COMME ÉLÉMENTS CONSTITUTIFS POUR DES MATÉRIAUX ÉLECTRONIQUES ORGANIQUES ET DES MATIÈRES COLORANTES
  申请人：BASF SE

  公开号：WO2014033622A2

  公开（公告）日：2014-03-06

  The present invention provides the compounds of formulae ( 3 ) and (1), wherein n is 0 or 1, R11 and R12 are the same and are selected from the group consisting of CN, OR300, Si(R301)3, NHR302, NR303R304, SR305 and R306, or R11 and R12 together are selected from the group consisting of (a), (b), and (c) and X is Cl, Br or I, and a process for the preparation of compounds of formula (3) comprising the compounds of formula (1) as key intermediates.
• Toward Perylene Dyes by the Hundsdiecker Reaction
  作者：Yulian Zagranyarski、Long Chen、Daniel Jänsch、Thomas Gessner、Chen Li、Klaus Müllen

  DOI：10.1021/ol5008586

  日期：2014.6.6

  An efficient method to synthesize 3,4,9,10-tetrabromoperylenes is reported under optimized Hunsdiecker conditions. Various octasubstituted perylenes were obtained by reaction of 1,6,7,12-tetrachloro-3,4,9,10-tetrabromoperylene with phenol, trimethylsilyl chloride, cooper cyanide, or sulfur via metal-catalyzed couplings or nucleophilic substitutions. These new perylenes show completely different optical and redox properties, thus opening a facile way to develop new chromophophore structures.