2-(4-methoxystyryl)-1,3-benzothiazole | 59198-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(4-methoxystyryl)-1,3-benzothiazole
• 英文别名: 2-(4-methoxy-styryl)-benzothiazole；Benzothiazole, 2-[2-(4-methoxyphenyl)ethenyl]-；2-[2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole
• CAS: 59198-05-9
• 化学式: C₁₆H₁₃NOS
• 分子量: 267.351
• InChiKey: RXKMHYYVMATNGS-UHFFFAOYSA-N

物化性质

• 熔点：
  142-144 °C
• 沸点：
  458.1±48.0 °C(Predicted)
• 密度：
  1.345 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  50.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-methoxystyryl)-1,3-benzothiazole 、 叠氮苯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以72%的产率得到
  参考文献：
  名称：

  通过有机催化 1,3-偶极环加成反应高效且区域特异性地合成 1,5-二芳基-4-苯并噻唑基-1,2,3-三唑

  摘要：

  摘要 通过有机催化 1,3-偶极环加成反应，从易得的苯并 [d] 噻唑衍生物和取代的叠氮基苯中有效合成 1,5-二芳基-4-苯并噻唑基取代的 1,2,3-三唑。1,8-二氮杂双环[5,4,0]十一碳-7-烯用作有机催化剂，2-(1,5-二芳基-1H-1,2,3-三唑-4-基)苯并[ d] 噻唑以良好的产率 (60% - 82%) 获得，具有区域特异性。所有合成化合物的结构均经 1H NMR、13C NMR 和 HRMS 确证。图形概要

  DOI：

  10.1080/00397911.2020.1758144
• 作为产物：
  描述：

  2-甲基苯并噻唑 、 4-甲氧基苯甲醛 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 生成 2-(4-methoxystyryl)-1,3-benzothiazole
  参考文献：
  名称：

  α-Hydroxybenzylation and Benzylidenation of the Methyl Group in 2-Methyl-1,3-benzoxazole and 2-Methyl-1,3-benzothiazole

  摘要：

  DOI：

  10.1055/s-1976-23949

文献信息

• Detecting targets using mass tags and mass spectrometry
  申请人：Ventana Medical Systems, Inc.

  公开号：US10078083B2

  公开（公告）日：2018-09-18

  Particular disclosed embodiments disclosed herein concern using a one or more various mass tags, which can be specifically deposited at targets through direct or indirect enzymatic-catalyzed transformation, to provide a method for identifying targets in tissue samples. The mass tags may be labeled with stable isotopes to produce mass tags having the same chemical structure but different masses. Mass codes produced by ionizing the mass tags are detected and/or quantified using mass spectrometry. The method can be used for multiplexed detection of multiple targets in a particular sample. In some embodiments, a map divided into sections representing sections of the tissue sample may be prepared, with the map sections including data corresponding to quantification data wherein the size of a mass peak is determined and correlated with the amount of a target for the corresponding tissue sample section.

  本文所公开的具体实施方案涉及使用一种或多种不同的质量标记，通过直接或间接的酶催化转化特异性地沉积在靶标上，从而提供一种识别组织样本中靶标的方法。质量标签可以用稳定同位素标记，以产生化学结构相同但质量不同的质量标签。通过电离质量标签产生的质量代码可使用质谱法进行检测和/或定量。该方法可用于特定样品中多个目标的多重检测。在某些实施方案中，可制备代表组织样本切片的切片图，切片图包括与定量数据相对应的数据，其中质量峰的大小被确定并与相应组织样本切片的靶标量相关联。
• Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein
  申请人：Kudo Yukitsuka

  公开号：US20050260126A1

  公开（公告）日：2005-11-24

  A compound, which is used for the diagnosis and the prophylaxis/treatment of diseases in which prion protein is accumulated, or specific staining of abnormal prion protein in samples, represented by the formula (I) or (II): or a salt or solvate thereof.

  一种化合物，用于诊断和预防/治疗朊病毒蛋白蓄积的疾病，或特异性染色样本中的异常朊病毒蛋白，由式（I）或（II）表示： 或其盐或溶解物。
• Lokhande, S. B.; Rangnekar, D. W., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 485 - 488
  作者：Lokhande, S. B.、Rangnekar, D. W.

  DOI：——

  日期：——
• Structural and computational studies of geometric isomers of 2-(4-methoxystyryl)-1,3-benzothiazole and preparation of their complexes with zinc halides
  作者：Marijana Đaković、Helena Čičak、Željka Soldin、Vesna Tralić-Kulenović

  DOI：10.1016/j.molstruc.2009.09.013

  日期：2009.12

  The 2-(4-methoxystyryl)-1,3-benzothiazole (MeO-sbt) and its complexes with zinc halides of general formula [ZnX2(MeO-sbt)(2)], X = Cl, Br, I, are prepared. Crystal structure of both geometric isomers cis-2-(4-methoxystyryl)-1,3-benzothiazole la and trans-2-(4-methoxystyryl)-1,3-benzothiazole 1b are reported Optimized structures of isomers 1a and 1b are consistent with X-ray structures. By comparison of calculated and experimental IR spectra as well as experimental NMR data it has been concluded that trans-isomer 1b was initial product. Quantum-mechanical calculations have shown that thermal isomerization in the singlet ground state is not possible at room temperature, but isomerization could be initiated by high temperature or photochemically which had not been Studied in this work. (C) 2009 Elsevier B.V. All rights reserved.
• DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY
  申请人：Ventana Medical Systems, Inc.

  公开号：EP2588144A2

  公开（公告）日：2013-05-08