6,7-di-n-butoxy-1,4-dihydroanthracene | 1415994-72-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 6,7-di-n-butoxy-1,4-dihydroanthracene
• 英文别名: 6,7-Dibutoxy-1,4-dihydroanthracene；6,7-dibutoxy-1,4-dihydroanthracene
• CAS: 1415994-72-7
• 化学式: C₂₂H₂₈O₂
• 分子量: 324.463
• InChiKey: FQKCISJJQZDAPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,7-di-n-butoxy-1,4-dihydroanthracene 在 potassium tert-butylate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 175.84h， 生成 tert-butyl 7,8-dibutoxy-4,11-dihydro-2H-naphtho[2,3-f]isoindole-3-carboxylate
  参考文献：
  名称：

  Tetraaryltetraanthra[2,3]porphyrins: Synthesis, Structure, and Optical Properties

  摘要：

  A synthetic route to symmetrical tetraaryltetraanthra[2,3]porphyrins (Ar(4)TAPs) was developed. Ar(4)TAPs bearing various substituents in meso-phenyls and anthracene residues were prepared from the corresponding pyrrolic precursors. The synthesized porphyrins possess high solubility and exhibit remarkably strong absorption bands in the near-infrared region (790-950 nm). The scope of the method, selection of the peripheral substituents, choice of the metal, and their influence on the optical properties are discussed together with the first X-ray crystallographic data for anthraporphyrin.

  DOI：

  10.1021/jo302135q
• 作为产物：
  描述：

  1,2-二溴-4,5-二丁氧基苯 在 吡啶 、 盐酸 、 正丁基锂 、 水 、 碳酸氢钠 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 43.5h， 生成 6,7-di-n-butoxy-1,4-dihydroanthracene
  参考文献：
  名称：

  Tetraaryltetraanthra[2,3]porphyrins: Synthesis, Structure, and Optical Properties

  摘要：

  A synthetic route to symmetrical tetraaryltetraanthra[2,3]porphyrins (Ar(4)TAPs) was developed. Ar(4)TAPs bearing various substituents in meso-phenyls and anthracene residues were prepared from the corresponding pyrrolic precursors. The synthesized porphyrins possess high solubility and exhibit remarkably strong absorption bands in the near-infrared region (790-950 nm). The scope of the method, selection of the peripheral substituents, choice of the metal, and their influence on the optical properties are discussed together with the first X-ray crystallographic data for anthraporphyrin.

  DOI：

  10.1021/jo302135q

文献信息

• Tetraaryltetraanthra[2,3]porphyrins: Synthesis, Structure, and Optical Properties
  作者：Mikhail A. Filatov、Stanislav Baluschev、Iliyana Z. Ilieva、Volker Enkelmann、Tzenka Miteva、Katharina Landfester、Sergey E. Aleshchenkov、Andrei V. Cheprakov

  DOI：10.1021/jo302135q

  日期：2012.12.21

  A synthetic route to symmetrical tetraaryltetraanthra[2,3]porphyrins (Ar(4)TAPs) was developed. Ar(4)TAPs bearing various substituents in meso-phenyls and anthracene residues were prepared from the corresponding pyrrolic precursors. The synthesized porphyrins possess high solubility and exhibit remarkably strong absorption bands in the near-infrared region (790-950 nm). The scope of the method, selection of the peripheral substituents, choice of the metal, and their influence on the optical properties are discussed together with the first X-ray crystallographic data for anthraporphyrin.