4,5-双-[N'-(丁基)硫脲基]-2,7-二叔丁基-9,9-二甲基氧杂蒽 | 187404-67-7

• 物质功能分类: 分析化学 - 分析试剂 - 常用分析试剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 4,5-双-[N'-(丁基)硫脲基]-2,7-二叔丁基-9,9-二甲基氧杂蒽
• 中文别名: 氯离子载体IV
• 英文名称: Chloride ionophore IV
• 英文别名: 1-butyl-3-[2,7-ditert-butyl-5-(butylcarbamothioylamino)-9,9-dimethylxanthen-4-yl]thiourea
• CAS: 187404-67-7
• 化学式: C₃₃H₅₀N₄OS₂
• 分子量: 582.918
• InChiKey: GYGZJHGSLBVTPV-UHFFFAOYSA-N

物化性质

• 沸点：
  597.1±60.0 °C(Predicted)
• 密度：
  1.105±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  122
• 氢给体数：
  4
• 氢受体数：
  3

安全信息

• WGK Germany：
  3

制备方法与用途

Chloride Ionophore IV 是一种硫脲型氢键受体，同时也是氯离子载体。

反应信息

• 作为反应物：
  描述：

  4,5-双-[N'-(丁基)硫脲基]-2,7-二叔丁基-9,9-二甲基氧杂蒽 在 四丁基氯化铵 作用下， 以 氘代二甲亚砜 为溶剂， 生成
  参考文献：
  名称：

  Strong hydrogen bond-mediated complexation of H2PO4− by neutral bis-thiourea hosts

  摘要：

  Highly preorganized bis-thiourea receptors based on a xanthene spacer selectively (H2PO4- > CH3COO- > Cl-) bind dihydrogenphosphate via multitopic hydrogen bonding, giving stronger complexes with H2PO4- than any synthetic neutral receptor known so far. The high complexation strengths are rationalized by the hydrogen bond donor strength of the thiourea groups and by host preorganization. The hydrogen bond acceptor strengths of the guest anions and, for small ions, guest solvation explain the observed selectivity of complexation in dimethyl sulfoxide(DMSO). (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01094-0
• 作为产物：
  描述：

  dibenzyl (2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)dicarbamate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 23.0h， 生成 4,5-双-[N'-(丁基)硫脲基]-2,7-二叔丁基-9,9-二甲基氧杂蒽
  参考文献：
  名称：

  Strong hydrogen bond-mediated complexation of H2PO4− by neutral bis-thiourea hosts

  摘要：

  Highly preorganized bis-thiourea receptors based on a xanthene spacer selectively (H2PO4- > CH3COO- > Cl-) bind dihydrogenphosphate via multitopic hydrogen bonding, giving stronger complexes with H2PO4- than any synthetic neutral receptor known so far. The high complexation strengths are rationalized by the hydrogen bond donor strength of the thiourea groups and by host preorganization. The hydrogen bond acceptor strengths of the guest anions and, for small ions, guest solvation explain the observed selectivity of complexation in dimethyl sulfoxide(DMSO). (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01094-0

文献信息

• POLY(METHYL METHACRYLATE)-SUPPORTED POLYDIACETYLENE FILMS AS COLORIMETRIC AND/OR FLUORESCENT DETECTORS
  申请人：B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY

  公开号：US20160041102A1

  公开（公告）日：2016-02-11

  Colorimetric and/or fluorescent detectors, which include a polydiacetylene (PDA) film deposited on a polymethylmetacrylate (PMMA) substrate. There are also colorimetric and/or fluorescent detectors which have a solid organic matrix comprising one or more PDAs deposited on the PMMA substrate, wherein the PDA includes polymerized units of one or more diacetylene monomers, and wherein the matrix further comprises at least one recognition element of an analyte. There are also methods for detecting analytes using this detector, uses thereof and a methods for its preparation.

  颜色计量和/或荧光检测器，包括沉积在聚甲基丙烯酸甲酯（PMMA）基板上的聚二烯烃（PDA）薄膜。还有一些颜色计量和/或荧光检测器，其具有包括沉积在PMMA基板上的一个或多个PDA的固体有机基质，其中PDA包括一个或多个二烯基单体的聚合单元，且基质进一步包括至少一种分析物的识别元素。还有使用该检测器检测分析物的方法，其用途以及其制备方法。
• Poly(methyl methacrylate)-supported polydiacetylene films as colorimetric and/or fluorescent detectors
  申请人：B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY

  公开号：US10101277B2

  公开（公告）日：2018-10-16

  Colorimetric and/or fluorescent detectors, which include a polydiacetylene (PDA) film deposited on a polymethylmetacrylate (PMMA) substrate. There are also colorimetric and/or fluorescent detectors which have a solid organic matrix comprising one or more PDAs deposited on the PMMA substrate, wherein the PDA includes polymerized units of one or more diacetylene monomers, and wherein the matrix further comprises at least one recognition element of an analyte. There are also methods for detecting analytes using this detector, uses thereof and a methods for its preparation.

  比色和/或荧光检测器，包括沉积在聚甲基丙烯酸甲酯（PMMA）基板上的聚二乙烯（PDA）薄膜。还有比色和/或荧光检测器，其固体有机基质包括沉积在 PMMA 基质上的一个或多个 PDA，其中 PDA 包括一个或多个二乙炔单体的聚合单元，基质还包括至少一个分析物的识别元素。此外，还有使用这种检测器检测分析物的方法、其用途及其制备方法。
• Extensible, multimodal sensor fusion platform for remote, proximal terrain sensing
  申请人：Teralytic, Inc.

  公开号：US10866208B2

  公开（公告）日：2020-12-15

  A sensor assembly includes a housing and multiple sensor array segments. A first sensor array segment includes an antenna. A second sensor array segment has a soil temperature sensor, an electrical conductivity (EC) sensor, a moisture sensor, an ion-sensitive field effect transistor (ISFET) nitrate sensor for detecting nitrates in adjacent soil, an ISFET phosphate sensor for detecting phosphates in adjacent soil, an ISFET potassium sensor for detecting potassium in adjacent soil, and an ISFET pH sensor for detecting pH in adjacent soil, and a reference electrode electrically coupled to the first sensor array segment and to the second sensor array segment. The first sensor array segment and the reference electrode can be disposed on opposite sides of the second sensor array segment.

  传感器组件包括一个外壳和多个传感器阵列部分。第一个传感器阵列部分包括一个天线。第二传感器阵列段有一个土壤温度传感器、一个电导率（EC）传感器、一个湿度传感器、一个用于检测邻近土壤中硝酸盐含量的离子敏感场效应晶体管（ISFET）硝酸盐传感器、一个用于检测邻近土壤中磷酸盐含量的离子敏感场效应晶体管磷酸盐传感器、一个用于检测邻近土壤中钾含量的离子敏感场效应晶体管钾传感器和一个用于检测邻近土壤中 pH 值的离子敏感场效应晶体管 pH 传感器，以及一个与第一传感器阵列段和第二传感器阵列段电耦合的参比电极。第一传感器阵列区段和参比电极可布置在第二传感器阵列区段的相对两侧。
• Methods for Detecting Contaminants in a Liquid
  申请人：Potyrailo Radislav Alexandrovich

  公开号：US20080116908A1

  公开（公告）日：2008-05-22

  In one embodiment, a method for detecting contaminants in a liquid comprises: contacting a sensor with a liquid, generating electrical information based upon a concentration of the contaminant in the liquid, transmitting the electrical information to a controller, and determining the concentration of a contaminant in the liquid. The sensor can comprise a film, a purge chamber, and a transducer, which are configured such that a first surface of the film is in fluid communication with the liquid and the purge chamber is in fluid communication with a second surface of the film that is opposite the first surface, and wherein the transducer is in fluid communication with the purge chamber.
• Apparatus for Detecting Contaminants in a Liquid and a System for Use Thereof
  申请人：Potyrailo Radislav Alexandrovich

  公开号：US20120114089A1

  公开（公告）日：2012-05-10

  Disclosed herein are apparatus and methods for detecting and quantifying contaminants in aqueous solutions. In one embodiment, an apparatus for the detection of contaminants within a liquid comprises a sensor and a controller. The sensor comprises a film and a transducer configured such that, during use, a first surface of the transducer is in fluid communication with a liquid, and the film is disposed between the first surface and the liquid. The film can be a polymeric material capable of hindering the transport of a non-desired species therethrough. The controller is in operational communication to the transducer, and is configured to determine the concentration of contaminants within the liquid.