2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4-carbaldehyde | 650599-76-1

• 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: 2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4-carbaldehyde
• 英文别名: 2,7-Ditert-butyl-9,9-dimethylxanthene-4-carbaldehyde；2,7-ditert-butyl-9,9-dimethylxanthene-4-carbaldehyde
• CAS: 650599-76-1
• 化学式: C₂₄H₃₀O₂
• 分子量: 350.501
• InChiKey: YTVJHEOXMPMDTO-UHFFFAOYSA-N

物化性质

• 沸点：
  412.9±45.0 °C(Predicted)
• 密度：
  1.029±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4-carbaldehyde 在 哌啶 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 9.0h， 生成
  参考文献：
  名称：

  Excimer emission and energy transfer in cofacial boradiazaindacene (BODIPY) dimers built on a xanthene scaffold

  摘要：

  Using a rigid xanthene scaffold, a series of boradiazaindacene derivatives were synthesized. In some of these compounds, two boradiazaindacene derivatives were placed cofacially, resulting in significant inter-chromophoric interactions, including excimer emission. A simple modification of boradiazaindacene structure leads to formation of an ICT dye, which has distinct spectral properties. Energy transfer between two BODIPY dyes was demonstrated as well. In addition, the spectral properties of ICT dye can be modulated by the addition of the acid leading to an acid switchable, energy transfer cassette. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.12.021
• 作为产物：
  描述：

  乌洛托品 、 2,7-二叔丁基-9,9-二甲基氧杂蒽 在 三氟乙酸 、 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 30.0h， 以13%的产率得到2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4-carbaldehyde
  参考文献：
  名称：

  模板诱导的4-甲基-7-O-己基香豆素的选择性光二聚化的超分子控制。

  摘要：

  设计并合成了包含两个相同的氢键识别亚基的对称的对位分子受体（3）。这些亚基能够结合具有互补供体和受体位点的底物以通过氢键形成超分子复合物。受体3被设计为接受两个客体分子，它们紧密地保持在超分子物种内。底物分子4-甲基-7-O-己基香豆素（1 c）与第二种底物形成2：1配合物，其结合常数为150 m（-1），首先通过1：1配合物与亲和常数510 m（-1）。当1 c的两个分子与模板结合时，其取向会导致在照射时选择性形成反式[2 + 2]光合产物2 cB。

  DOI：

  10.1002/chem.200305268

文献信息

• Supramolecular Control of the Template-Induced Selective Photodimerization of 4-Methyl-7-O-hexylcoumarin
  作者：William G. Skene、Emilie Couzigné、Jean-Marie Lehn

  DOI：10.1002/chem.200305268

  日期：2003.11.21

  are capable of binding substrates with complementary donor and acceptor sites to form a supramolecular complex through hydrogen bonding. Receptor 3 was designed to accept two guest molecules, which are held in close proximity within the supramolecular species. The substrate molecule, 4-methyl-7-O-hexylcoumarin (1 c), forms a 2:1 complex with a binding constant of 150 m(-1) for the second substrate

  设计并合成了包含两个相同的氢键识别亚基的对称的对位分子受体（3）。这些亚基能够结合具有互补供体和受体位点的底物以通过氢键形成超分子复合物。受体3被设计为接受两个客体分子，它们紧密地保持在超分子物种内。底物分子4-甲基-7-O-己基香豆素（1 c）与第二种底物形成2：1配合物，其结合常数为150 m（-1），首先通过1：1配合物与亲和常数510 m（-1）。当1 c的两个分子与模板结合时，其取向会导致在照射时选择性形成反式[2 + 2]光合产物2 cB。
• Excimer emission and energy transfer in cofacial boradiazaindacene (BODIPY) dimers built on a xanthene scaffold
  作者：Neslihan Saki、Tarik Dinc、Engin U. Akkaya

  DOI：10.1016/j.tet.2005.12.021

  日期：2006.3

  Using a rigid xanthene scaffold, a series of boradiazaindacene derivatives were synthesized. In some of these compounds, two boradiazaindacene derivatives were placed cofacially, resulting in significant inter-chromophoric interactions, including excimer emission. A simple modification of boradiazaindacene structure leads to formation of an ICT dye, which has distinct spectral properties. Energy transfer between two BODIPY dyes was demonstrated as well. In addition, the spectral properties of ICT dye can be modulated by the addition of the acid leading to an acid switchable, energy transfer cassette. (c) 2005 Elsevier Ltd. All rights reserved.