4-(1-butylpentyloxy)-2,6-dimethylbenzaldehyde | 854616-72-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(1-butylpentyloxy)-2,6-dimethylbenzaldehyde
• 英文别名: 2,6-Dimethyl-4-nonan-5-yloxybenzaldehyde
• CAS: 854616-72-1
• 化学式: C₁₈H₂₈O₂
• 分子量: 276.419
• InChiKey: YFPKNPUFNWSGKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 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：

  4-(1-butylpentyloxy)-2,6-dimethylbenzaldehyde 在 palladium on activated charcoal 、 对甲苯磺酸 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 47.0h， 生成 5-[4-(1-butylpentyloxy)-2,6-dimethylphenyl]-1,9-bis[3-(hydroxymethyl)phenyl]-10H-dipyrrin
  参考文献：
  名称：

  Highly Sodium-Selective Fluoroionophore Based on Conformational Restriction of Oligoethyleneglycol-Bridged Biaryl Boron−Dipyrromethene

  摘要：

  A non-PET and non-PCT fluoroionophore has been designed and synthesized based on the combination of a biaryl boron-dipyrromethene fluorophore with an oligoethyleneglycol bridge. A specific red-shift response of absorption for NaClO4 in acetonitrile was demonstrated based on conformational restriction triggered by cation recognition at the bridge. The concentration of Na+ can be determined accurately using fluorescence due to a high extinction coefficient (epsilon = 50 000), a high fluorescence quantum yield (Phif = 0.68), and the sharpness of absorption and emission peaks of the boron-dipyrromethene derivative.

  DOI：

  10.1021/ja042414o
• 作为产物：
  描述：

  2,6-二甲基-4-羟基苯甲醛 、 5-nonyl methanesulfonate 在 potassium carbonate 作用下， 反应 36.0h， 以50%的产率得到4-(1-butylpentyloxy)-2,6-dimethylbenzaldehyde
  参考文献：
  名称：

  Highly Sodium-Selective Fluoroionophore Based on Conformational Restriction of Oligoethyleneglycol-Bridged Biaryl Boron−Dipyrromethene

  摘要：

  A non-PET and non-PCT fluoroionophore has been designed and synthesized based on the combination of a biaryl boron-dipyrromethene fluorophore with an oligoethyleneglycol bridge. A specific red-shift response of absorption for NaClO4 in acetonitrile was demonstrated based on conformational restriction triggered by cation recognition at the bridge. The concentration of Na+ can be determined accurately using fluorescence due to a high extinction coefficient (epsilon = 50 000), a high fluorescence quantum yield (Phif = 0.68), and the sharpness of absorption and emission peaks of the boron-dipyrromethene derivative.

  DOI：

  10.1021/ja042414o

文献信息

• FLUORESCENT COMPOUND AND LABELING AGENT COMPRISING THE SAME
  申请人：Keio University

  公开号：EP2022794B1

  公开（公告）日：2017-08-23
• Fluorescent Compound and Labeling Agent Comprising the Same
  申请人：Suzuki Koji

  公开号：US20090176313A1

  公开（公告）日：2009-07-09

  A novel fluorescent compound having a high light fastness, high fluorescence quantum yield and sharp absorption spectrum, which emits fluorescence having a wavelength in long wavelength region, as well as its use as a labeling agent, is disclosed. In Formula [I] below, by forming a specific hetero ring(s) with R 1 and R 2 , and/or R 6 and R 7 , shift of the wavelength of the fluorescence to longer wavelength and increase in molar extinction coefficient are attained maintaining the high light fastness, high fluorescence quantum yield and sharp absorption spectrum which the fluorescent dyes having the boron dipyrromethene skeleton have.
• US8193350B2
  申请人：——

  公开号：US8193350B2

  公开（公告）日：2012-06-05
• Highly Sodium-Selective Fluoroionophore Based on Conformational Restriction of Oligoethyleneglycol-Bridged Biaryl Boron−Dipyrromethene
  作者：Koji Yamada、Yuki Nomura、Daniel Citterio、Naoko Iwasawa、Koji Suzuki

  DOI：10.1021/ja042414o

  日期：2005.5.1

  A non-PET and non-PCT fluoroionophore has been designed and synthesized based on the combination of a biaryl boron-dipyrromethene fluorophore with an oligoethyleneglycol bridge. A specific red-shift response of absorption for NaClO4 in acetonitrile was demonstrated based on conformational restriction triggered by cation recognition at the bridge. The concentration of Na+ can be determined accurately using fluorescence due to a high extinction coefficient (epsilon = 50 000), a high fluorescence quantum yield (Phif = 0.68), and the sharpness of absorption and emission peaks of the boron-dipyrromethene derivative.