S-(3-triethoxysilylpropyl)mercaptobenzothiazole | 105923-28-2

• 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: S-(3-triethoxysilylpropyl)mercaptobenzothiazole
• 英文别名: 2-((3-(triethoxysilyl)propyl)thio)benzo[d]thiazole；2-{[3-(Triethoxysilyl)propyl]sulfanyl}-1,3-benzothiazole；3-(1,3-benzothiazol-2-ylsulfanyl)propyl-triethoxysilane
• CAS: 105923-28-2
• 化学式: C₁₆H₂₅NO₃S₂Si
• 分子量: 371.597
• InChiKey: VTGJNEZVINMJKK-UHFFFAOYSA-N

物化性质

• 沸点：
  423.7±47.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  23
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  94.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  三乙醇胺 、 S-(3-triethoxysilylpropyl)mercaptobenzothiazole 在 potassium hydroxide 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以90%的产率得到S-(3-silatranylpropyl)mercaptobenzothiazole
  参考文献：
  名称：

  Synthesis, X-Ray Structure and Anti-Bacterial Studies of 1,3-Thiazolylpropylsilatranes

  摘要：

  Syntheses of 1,3-thiazolyl functionalized propylsilatranes were carried out by the transesterification reaction of S-(3-triethoxysilylpropyl)mercaptobenzothiazole with triethanolamine, tris(isopropanol)amine and tris(2-aminoethyl)amine. The structures of the synthesized compounds were established by elemental analysis, IR, (H-1, C-13) NMR spectroscopy, mass spectrometry and explored for thermal stability by thermogravimetric analysis. The structure of S-(3-silatranylpropyl)mercaptobenzothiazole was confirmed by single crystal X-ray diffraction analysis. All the synthesized silatranes were effectively screened for antibacterial activity against Gram-negative (Escherichia coli and Vibrio cholerae) and Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus).

  DOI：

  10.1080/10426507.2015.1049743
• 作为产物：
  描述：

  2-(烯丙基硫基)-1,3-苯并噻唑 、 三乙氧基硅烷 在 bis(1,5-cyclooctadiene)diiridium(I) dichloride 作用下， 以 二氯甲烷 为溶剂， 以96%的产率得到S-(3-triethoxysilylpropyl)mercaptobenzothiazole
  参考文献：
  名称：

  Iridium-Catalyzed Hydrosilylation of Unactivated Alkenes: Scope and Application to Late-Stage Functionalization

  摘要：

  Highly efficient and general Ir-catalyzed hydrosilylation of unactivated alkenes with excellent anti-Markovnikov regioselectivity was described. A broad scope of hydrosilylated products were synthesized economically and conveniently from commercially or naturally available compounds, which provides versatile valuable precursors for organic and medicinal studies.

  DOI：

  10.1021/acs.joc.8b02838

文献信息

• Synthesis of adducts from mercury(II) with N and S donor ligands as models of adsorbent materials for the retention of heavy metals
  作者：Isabel del Hierro、Isabel Sierra、Damián Pérez-Quintanilla、Fernando Carrillo-Hermosilla、Isabel López-Solera、Mariano Fajardo

  DOI：10.1016/s0020-1693(03)00302-5

  日期：2003.11

  A series of adducts of the type (LL′)HgCl2 have been obtained by the reaction of the corresponding ligand and the mercury salt. (LL′)=bis(3,5-dimethylpyrazol-1-yl)methane (3), 2-(methylthio)pyrazine (4), 2-(methylthio)benzothiazole (5) and four new trialkoxysilane ligands (1a and 1b) and (2a and 2b) with attached 2-mercaptopyridine and 2-mercaptobenzothiazole units. The mercury adducts (6–10), which

  摘要通过相应的配体与汞盐的反应，获得了一系列（LL'）HgCl2型加合物。（LL'）=双（3,5-二甲基吡唑-1-基）甲烷（3），2-（甲硫基）吡嗪（4），2-（甲硫基）苯并噻唑（5）和四个新的三烷氧基硅烷配体（1a和1b ）和（2a和2b）带有连接的2-巯基吡啶和2-巯基苯并噻唑单元。汞加合物（6-10）是改性重金属吸附二氧化硅的模型，已通过分析和光谱数据进行了表征。[（3，5-二甲基吡唑-1-基）甲烷] HgCl2（8）已经通过X射线衍射表征。
• Iridium-Catalyzed Hydrosilylation of Unactivated Alkenes: Scope and Application to Late-Stage Functionalization
  作者：Xingze Xie、Xueyan Zhang、Haoyu Yang、Xin Ji、Jianing Li、Shengtao Ding

  DOI：10.1021/acs.joc.8b02838

  日期：2019.1.18

  Highly efficient and general Ir-catalyzed hydrosilylation of unactivated alkenes with excellent anti-Markovnikov regioselectivity was described. A broad scope of hydrosilylated products were synthesized economically and conveniently from commercially or naturally available compounds, which provides versatile valuable precursors for organic and medicinal studies.
• Synthesis, X-Ray Structure and Anti-Bacterial Studies of 1,3-Thiazolylpropylsilatranes
  作者：Gurjaspreet Singh、Promila、Amandeep Saroa、Jandeep Singh、Sunita Rani、Baljinder Singh、Duane Choquesillo-Lazarte

  DOI：10.1080/10426507.2015.1049743

  日期：2015.11.2

  Syntheses of 1,3-thiazolyl functionalized propylsilatranes were carried out by the transesterification reaction of S-(3-triethoxysilylpropyl)mercaptobenzothiazole with triethanolamine, tris(isopropanol)amine and tris(2-aminoethyl)amine. The structures of the synthesized compounds were established by elemental analysis, IR, (H-1, C-13) NMR spectroscopy, mass spectrometry and explored for thermal stability by thermogravimetric analysis. The structure of S-(3-silatranylpropyl)mercaptobenzothiazole was confirmed by single crystal X-ray diffraction analysis. All the synthesized silatranes were effectively screened for antibacterial activity against Gram-negative (Escherichia coli and Vibrio cholerae) and Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus).