Acetic acid 10-acetoxy-2,8-diisopropyl-xantheno[2,1,9,8-klmna]xanthen-4-yl ester | 133405-19-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: Acetic acid 10-acetoxy-2,8-diisopropyl-xantheno[2,1,9,8-klmna]xanthen-4-yl ester
• 英文别名: [18-Acetyloxy-6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaen-9-yl] acetate
• CAS: 133405-19-3
• 化学式: C₃₀H₂₆O₆
• 分子量: 482.533
• InChiKey: XUSHYDDCBYEMGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Acetic acid 10-acetoxy-2,8-diisopropyl-xantheno[2,1,9,8-klmna]xanthen-4-yl ester 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 2,8-diisopropyl-peri-xanthenoxanthene-4,10-quinone
  参考文献：
  名称：

  The quincyte pigments: Fossil quinones in an eocene clay mineral

  摘要：

  An unusual series of quinone pigments in a pink Eocene (c. 45x10(6) yr) sepiolite (quincyte, France) has been characterised by spectroscopy. The structure of the major pigment (c. 75% of total), 2,8-di-isopropyl-peri-xanthenoxanthene-4,10-quinone, was confirmed by synthesis. Spectroscopy revealed six minor related components with various oxygenated C-2 substituents (C1-C3) and, generally, a C-8 isopropyl group. Although the origin of the pigments is unknown, they (or their precursors) appear to have been biosynthesised by the acyl-malonate pathway.

  DOI：

  10.1016/s0040-4020(01)80947-9
• 作为产物：
  描述：

  乙酸酐 、 2,8-diisopropyl-peri-xanthenoxanthene-4,10-quinone 在 sodium acetate 、 锌 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 生成 Acetic acid 10-acetoxy-2,8-diisopropyl-xantheno[2,1,9,8-klmna]xanthen-4-yl ester
  参考文献：
  名称：

  The quincyte pigments: Fossil quinones in an eocene clay mineral

  摘要：

  An unusual series of quinone pigments in a pink Eocene (c. 45x10(6) yr) sepiolite (quincyte, France) has been characterised by spectroscopy. The structure of the major pigment (c. 75% of total), 2,8-di-isopropyl-peri-xanthenoxanthene-4,10-quinone, was confirmed by synthesis. Spectroscopy revealed six minor related components with various oxygenated C-2 substituents (C1-C3) and, generally, a C-8 isopropyl group. Although the origin of the pigments is unknown, they (or their precursors) appear to have been biosynthesised by the acyl-malonate pathway.

  DOI：

  10.1016/s0040-4020(01)80947-9

文献信息

• NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES
  申请人：Stoessel Philipp

  公开号：US20100013381A1

  公开（公告）日：2010-01-21

  The present invention relates to the compounds of the formulae (1) to (8) and to the use thereof in organic electroluminescent devices, in particular in blue-emitting devices. The compounds of the formulae (1) to (8) are used as host material or dopant in the emitting layer or also in a hole- or electron-transport layer.

  本发明涉及式（1）至（8）化合物及其在有机电致发光器件中的应用，特别是在蓝色发光器件中的应用。式（1）至（8）的化合物可用作发射层中的主体材料或掺杂剂，也可用于空穴或电子传输层。
• NEUE MATERIALIEN FÜR ORGANISCHE ELEKTROLUMINESZENZVORRICHTUNGEN
  申请人：Merck Patent GmbH

  公开号：EP2046915B1

  公开（公告）日：2015-12-02
• US8114531B2
  申请人：——

  公开号：US8114531B2

  公开（公告）日：2012-02-14
• [DE] NEUE MATERIALIEN FÜR ORGANISCHE ELEKTROLUMINESZENZVORRICHTUNGEN<br/>[EN] NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES<br/>[FR] NOUVEAUX MATÉRIAUX POUR DISPOSITIFS ORGANIQUES ÉLECTROLUMINESCENTS
  申请人：MERCK PATENT GMBH

  公开号：WO2008011964A1

  公开（公告）日：2008-01-31

  [EN] The present invention relates to compounds according to formulas (1) to (8) and to the use thereof in organic electroluminescent devices, in particular in blue-emitting devices. The compounds according to formulas (1) to (8) are used as host material or as a dopant in the emitting layer, or in a hole transport layer or electron transport layer.
  [FR] La présente invention concerne les composés selon les formules (1) à (8) et leur utilisation dans des dispositifs organiques électroluminescents, en particulier des dispositifs émettant dans le bleu. Les composés selon les formules (1) à (8) sont utilisés comme matériaux hôte ou dopant dans la couche émettrice ou également, dans une couche de transport de trous ou d'électrons.
  [DE] Die vorliegende Erfindung betrifft die Verbindungen gemäß Formel (1) bis (8) und deren Verwendung in organischen Elektrolumineszenz- vorrichtungen, insbesondere in blau emittierenden Vorrichtungen. Die Verbindungen gemäß Formel (1) bis (8) werden als Hostmaterial oder Dotand in der emittierenden Schicht oder auch in einer Loch- oder Elektronentransportschicht verwendet.
• The quincyte pigments: Fossil quinones in an eocene clay mineral
  作者：William G. Prowse、Katherine I. Arnot、Josef A. Recka、Ronald H. Thomson、James R. Maxwell

  DOI：10.1016/s0040-4020(01)80947-9

  日期：1991.1

  An unusual series of quinone pigments in a pink Eocene (c. 45x10(6) yr) sepiolite (quincyte, France) has been characterised by spectroscopy. The structure of the major pigment (c. 75% of total), 2,8-di-isopropyl-peri-xanthenoxanthene-4,10-quinone, was confirmed by synthesis. Spectroscopy revealed six minor related components with various oxygenated C-2 substituents (C1-C3) and, generally, a C-8 isopropyl group. Although the origin of the pigments is unknown, they (or their precursors) appear to have been biosynthesised by the acyl-malonate pathway.