2,3,4-trimethyl-oxazolium; iodide | 31349-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,3,4-trimethyl-oxazolium; iodide
• 英文别名: 2,3,4-Trimethyl-oxazolium; Jodid；2,3,4-trimethyloxazolium iodide；2,3,4-Trimethyl-1,3-oxazol-3-ium;iodide
• CAS: 31349-61-8
• 化学式: C₆H₁₀NO*I
• 分子量: 239.056
• InChiKey: UWSVXPDPBQFJBU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.28
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,3,4-trimethyl-oxazolium; iodide 在 potassium acetate 、 乙酸酐 作用下， 生成 1-(3-ethyl-benzothiazol-2-yl)-3-(3,4-dimethyl-oxazol-2-yl)-trimethinium ; iodide
  参考文献：
  名称：

  Taki, Kagaku Kenkyusho Hokoku, 1949, vol. 25, p. 224

  摘要：

  DOI：

文献信息

• Analyse par résonance magnétique nucléaire ¹³C de la stabilité relative des spirochromènes et des mérocyanines dérivant du méthoxy-3 nitro-5 salicylaldéhyde
  作者：Michel Maguet、Michel Le Baccon、Yves Poirier、Robert Guglielmetti

  DOI：10.1139/v82-380

  日期：1982.11.1

  Heterocycloimmonium salts generally react with 3-methoxy 5-nitro salicylaldéhyde to give spirochromenes or merocyanines. Only the latter compounds are obtained in the thiazolinic and the benzimidazolinic series. The linking of a paraffinic ring to the merocyanines allows their ¹³C nmr study. The comparison of their spectra with those of heterocycloimmonium salts stresses a hyperconjugative effect in the thiazolinic and the benzimidazolinic series. The benzoxazolinic series appears to be in an intermediate position: the thermodynamic stabilities of spirochromenes and merocyanines are quite similar. The limiting value of the chemical shift of the carbon atom involved in the spiroannellation of merocyanines, can be approximately determined.

  杂环亚铵盐通常与3-甲氧基-5-硝基水杨醛反应，生成螺环色酮或亚氰甙。只有后者在噻唑啉和苯并咪唑啉系列中得到。将烷环连接到亚氰甙中允许进行其¹³C nmr研究。将它们的光谱与杂环亚铵盐的光谱进行比较强调了噻唑啉和苯并咪唑啉系列中的超共轭效应。苯并噁唑啉系列似乎处于中间位置：螺环色酮和亚氰甙的热力学稳定性非常相似。可以近似确定亚氰甙中涉及的碳原子的化学位移的极限值。
• CYANINE DYE
  申请人：Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo

  公开号：EP1178083A1

  公开（公告）日：2002-02-06

  The present invention has objects to provide organic dye compounds having their absorption maxima in a region ranging from an ultraviolet region to a relatively short-wavelength visible region and to provide uses thereof, and solves the objects by specific monomethine cyanine dyes, light absorbents and optical recording media comprising the monomethine cyanide dyes, and a process for producing the monomethine cyanine dyes which comprises a step of either reacting a quaternary ammonium salt of nitrogen-atom-containing heterocyclic compound having a reactive methyl group with a quaternary ammonium salt of nitrogen-atom-containing heterocyclic compound having an appropriate leaving group.

  本发明的目的是提供具有从紫外区到相对短波长可见区的最大吸收区域的有机染料化合物，并提供其用途，本发明通过特定的一甲基氰基染料、吸光剂和包含一甲基氰基染料的光学记录介质来解决上述目的、以及一种生产一甲基氰基染料的工艺，该工艺包括以下步骤：将具有活性甲基的含氮原子杂环化合物的季铵盐与具有适当离去基团的含氮原子杂环化合物的季铵盐反应。
• Monomethine cyanine dyes suitable for the use in optical recording media
  申请人：Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo

  公开号：EP1429324A1

  公开（公告）日：2004-06-16

  The present invention has objects to provide organic dye compounds having their absorption maxima in a region ranging from an ultraviolet region to a relatively short-wavelength visible region and to provide uses thereof, and solves the objects by specific monomethine cyanine dyes, light absorbents and optical recording media comprising the monomethine cyanide dyes, and a process for producing the monomethine cyanine dyes which comprises a step of either reacting a quaternary ammonium salt of nitrogen-atom-containing heterocyclic compound having a reactive methyl group with a quaternary ammonium salt of nitrogen-atom-containing heterocyclic compound having an appropriate leaving group.

  本发明的目的是提供具有从紫外区到相对短波长可见区的最大吸收区域的有机染料化合物，并提供其用途，本发明通过特定的一甲基氰基染料、吸光剂和包含一甲基氰基染料的光学记录介质来解决上述目的、以及一种生产一甲基氰基染料的工艺，该工艺包括以下步骤：将具有活性甲基的含氮原子杂环化合物的季铵盐与具有适当离去基团的含氮原子杂环化合物的季铵盐反应。
• Cyanine dyes
  申请人：Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenky

  公开号：US20030181727A1

  公开（公告）日：2003-09-25

  The present invention provides organic dye compounds having their absorption maxima in a region ranging from the ultraviolet region to a relatively short wavelength visible region and uses thereof. The present invention provides specific monomethine cyanine dyes, light absorbents and optical recording media comprising the monomethine cyanine dyes, and a process for producing the monomethine cyanine dyes which comprises a step of reacting a quaternary ammonium salt of nitrogen atom-containing heterocyclic compound having a reactive methyl group with a quarternary ammonium salt of nitrogen atom-containing heterocyclic compound having an appropriate leaving group.

  本发明提供了在从紫外区到相对较短波长的可见光区具有吸收最大值的有机染料化合物及其用途。本发明提供了特定的单亚胺氰基染料、吸光剂和包含单亚胺氰基染料的光学记录介质，以及生产单亚胺氰基染料的工艺，该工艺包括使具有活性甲基的含氮原子杂环化合物的季铵盐与具有适当离去基团的含氮原子杂环化合物的季铵盐反应的步骤。
• Sugimoto, Kagaku Kenkyusho Hokoku, 1949, vol. 25, p. 265,271
  作者：Sugimoto

  DOI：——

  日期：——