3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)-3H-2,1λ⁶-benzoxathiole 1,1-dioxide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)-3H-2,1λ⁶-benzoxathiole 1,1-dioxide
• 英文别名: Thymol Blue；4-[3-(4-Hydroxy-5-methyl-2-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methyl-5-propan-2-ylphenol；4-[3-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-methyl-5-propan-2-ylphenol
• 化学式: C₂₇H₃₀O₅S
• 分子量: 466.598
• InChiKey: JVKOTDWNOGFTEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  92.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-磺基苯甲酸酐 、 香芹酚 以 氯苯 为溶剂， 以69%的产率得到3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)-3H-2,1λ⁶-benzoxathiole 1,1-dioxide
  参考文献：
  名称：

  Solvent-Free Synthesis of Sulfonephthaleins, Sulfonefluoresceins and Fluoresceins Under Microwave Irradiation

  摘要：

  报道了一种高效的无溶剂合成磺酮邻苯二甲酸酯、磺酮荧光素和荧光素的方法，在微波辐射下进行。

  DOI：

  10.1135/cccc20021779

文献信息

• FLUORINE-18 LABELED HYDROGEN ION PROBES
  申请人：The Trustees of The University of Pennsylvania

  公开号：US20140369933A1

  公开（公告）日：2014-12-18

  Fluorine-containing molecules include fluorine-18 labeled hydrogen ion indicator molecules and methods of making and using the same. Fluorine atoms incorporated into the indicator molecules provides novel structural modifications to the precursor molecules, shifting the absorbance maxima relative to their non-fluorinated precursor/cogeners. These molecules are useful for non-invasive in vivo measurement of blood volume, blood flow and pH in biological objects. Compounds are functionalized by a radioisotopically enriched fluorine-18 label and indicator molecule with structure derived from triarylmethane derived indicators, such as phenol red, cresol red, cresol purple, thymol blue, bromophenol red, naphthol blue, phenolphthalein, cresolphthalein, thymolphthalein, naphtholphthalein, gentian violet (methyl violet 10B), methyl violet 2B, methyl violet 6B, leucomalachite green (malachite green), brilliant green, pararosaniline, fuchsines, or salts thereof. During its radioactive decay, fluorine-18 produces high-energy positrons, which can be detected by positron emission tomography (PET) or single photon emission computer tomography (SPECT).

  含氟分子包括氟-18标记的氢离子指示分子及其制备和使用方法。将氟原子纳入指示分子中，可对前体分子进行新颖的结构修饰，使吸收峰相对于非氟化前体/同系物发生位移。这些分子对于生物对象的无创体内测量血容量、血流和pH值非常有用。化合物通过放射性同位素富集的氟-18标记进行官能化，并且指示分子的结构来源于三芳基甲烷衍生指示剂，例如酚红、甲酚红、甲酚紫、百里酚蓝、溴酚红、萘酚蓝、酚酞、甲酚酞、百里酚酞、萘酚酞、龙胆紫（甲基紫10B）、甲基紫2B、甲基紫6B、亚甲基绿（孔雀绿）、亮绿、对苯偶氮苯胺、品红或其盐。在其放射性衰变过程中，氟-18会产生高能正电子，可以通过正电子发射断层扫描（PET）或单光子发射计算机断层扫描（SPECT）进行检测。
• Colorimetric artificial nose having an array of dyes and method for artificial olfaction
  申请人：Board of Trustees of the University of Illinois

  公开号：US20030143112A1

  公开（公告）日：2003-07-31

  The present invention involves an artificial nose having an array comprising at least a first dye and a second dye in combination and having a distinct spectral response to an analyte. In one embodiment, the first and second dyes are from the group comprising chemoresponsive dyes, and the second dye is distinct from the first dye. In one embodiment, the first dye is selected from the group consisting of porphyrin, chlorin, chlorophyll, phthalocyanine, and salen, or their metal complexes. In another embodiment, the second dye is selected from the group of dyes consisting of acid-base indicator dyes and solvatochromic dyes. The present invention is particularly useful in detecting metal ligating vapors. Further, the array of the present invention can be connected to a visual display device.

  本发明涉及一种人工鼻，其具有包括至少第一染料和第二染料的阵列组合，并对分析物具有独特的光谱响应。在一种实施例中，第一和第二染料来自包括化学响应染料的组，第二染料与第一染料不同。在一种实施例中，第一染料从卟啉，叶绿素，叶绿素，酞菁和萨伦或其金属配合物组成的组中选择。在另一种实施例中，第二染料从酸碱指示剂染料和溶剂致变染料组成的染料组中选择。本发明在检测金属配位汽化物方面特别有用。此外，本发明的阵列可以连接到视觉显示装置。
• System for the detection of urease and method for using same
  申请人：Marshall, Barry

  公开号：EP1918712A1

  公开（公告）日：2008-05-07

  A system and method for detecting bacterial infections in the gastrointestinal tract is disclosed. In one embodiment, the system includes a first composition separated from a second composition. The first composition contains urea in powdered form. The second composition, on the other hand, contains an indicator. A biopsy of a gastric sample is first contacted with the first composition and then placed in the second composition. The second composition indicates the presence of an enzyme that, in turn, indicates the presence of bacteria. In an alternative embodiment of the present invention, a biopsy of a gastric sample is contacted with a single composition. The composition contains urea in a powdered form combined with a dry indicator. Besides urea and a dry indicator, the composition can also contain an anti-caking agent. The system of the present invention can include a container for holding the composition. A specimen handling tool can be included in the container for handling a biopsy sample.

  本文公开了一种检测胃肠道细菌感染的系统和方法。在一个实施方案中，该系统包括与第二组合物分离的第一组合物。第一种组合物含有粉末状的尿素。第二种成分则含有指示剂。胃活检样本首先与第一种组合物接触，然后放入第二种组合物中。第二种组合物会显示一种酶的存在，而这种酶又会显示细菌的存在。在本发明的另一个实施方案中，胃样本活检组织与单一组合物接触。这种组合物含有粉末状的尿素和干指示剂。除尿素和干性指示剂外，组合物还可含有抗结块剂。本发明的系统可以包括一个用于容纳组合物的容器。容器中可包括一个标本处理工具，用于处理活检样本。
• Liquid fertilizer composition containing color change indicator
  申请人：The Andersons, Inc.

  公开号：US10029954B2

  公开（公告）日：2018-07-24

  A liquid fertilizer adjuvant composition is provided that includes a fertilizer, a pH buffering agent, a surfactant, and one or more color indicator that produce a first color change that indicates when an pre-selected first level of field treatment has been achieved. The composition is provided as a single solution. A second color change occurs when a pre-selected second, higher level of field treatment is required. The color change indicative of a pre-selected pH, water hardness, or a combination of both. The composition is particular well suited for inclusion of a urea fertilizer.

  提供了一种液体肥料佐剂组合物，其中包括肥料、pH 缓冲剂、表面活性剂和一种或多种颜色指示剂，当达到预选的第一级田间处理效果时，指示剂会产生第一种颜色变化。组合物以单一溶液的形式提供。当需要进行预选的第二级、更高级别的现场处理时，会出现第二次颜色变化。这种颜色变化表示预选的 pH 值、水硬度或两者的组合。该组合物特别适合加入尿素肥料。
• Indicator device
  申请人：Insignia Technologies, LTD

  公开号：US10107760B2

  公开（公告）日：2018-10-23

  There is described an indicator device for detecting a change in atmospheric conditions, the indicator device comprising an indicator section and a barrier section adjacent thereto, said indicator section comprising: an indicator material; a substrate material; and a first adhesive layer; the indicator material and the substrate material being incorporated into one or more layers; wherein the indicator material displays different visible properties in different atmospheric conditions, and wherein the barrier section provides a semi-permeable seal configured to allow controlled flow to the indicator of an atmospheric agent that effects a change in visible properties of the indicator material. There is also described a method for preparing an indicator device, and products derived therefrom. The indicator device may be used to detect oxygen, water, carbon dioxide, an amine and/or ammonia, or to indicate the passage of time.

  描述了一种用于检测大气条件变化的指示器装置，该指示器装置包括指示器部分和与其相邻的阻隔部分，所述指示器部分包括：指示器材料；基底材料；和第一粘合层；指示器材料和基底材料结合成一层或多层；其中指示器材料在不同的大气条件下显示不同的可见特性，阻隔部分提供半渗透密封，其配置允许大气介质受控流向指示器，从而影响指示器材料可见特性的变化。本文还描述了一种制备指示剂装置的方法及其衍生产品。指示器装置可用于检测氧气、水、二氧化碳、胺和/或氨，或指示时间的流逝。