2,8-diisopropyl-peri-xanthenoxanthene-4,10-quinone | 133376-91-7

• 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: 2,8-diisopropyl-peri-xanthenoxanthene-4,10-quinone
• 英文别名: 6,15-Di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,10,13,15,17(21),19-nonaene-9,18-dione
• CAS: 133376-91-7
• 化学式: C₂₆H₂₀O₄
• 分子量: 396.442
• InChiKey: YFUBUFGOLPKQHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  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

文献信息

• 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.