(4-甲基喹啉-2-磺酰基)-乙酸 | 17880-62-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: (4-甲基喹啉-2-磺酰基)-乙酸
• 英文名称: (4-methyl-2-quinolylthio)acetic acid
• 英文别名: 2-(4-Methylquinolin-1-ium-2-yl)sulfanylacetate
• CAS: 17880-62-5
• 化学式: C₁₂H₁₁NO₂S
• mdl: MFCD00749407
• 分子量: 233.291
• InChiKey: LYRXFOXCAABCMR-UHFFFAOYSA-N

物化性质

• 熔点：
  117 °C
• 沸点：
  439.9±35.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  75.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  (4-甲基喹啉-2-磺酰基)-乙酸 在 乙酸酐 、 三乙胺 作用下， 以 吡啶 为溶剂， 反应 0.42h， 生成 2-phenylmercaptocarbamoyl-5-methylthiazolo<3,2-a>quinolinium 1-oxide
  参考文献：
  名称：

  Mesoionic compounds with a bridged nitrogen atom. 4. Thiazolo[3, 2-a]quinolinium 1-oxide derivatives

  摘要：

  DOI：

  10.1007/bf00561344
• 作为产物：
  描述：

  (4-methyl-2-quinolylthio)acetic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以92%的产率得到(4-甲基喹啉-2-磺酰基)-乙酸
  参考文献：
  名称：

  Synthesis of Derivatives of (4-Methyl-2-Quinolylthio)acetic and (4-Methyl-2-Quinolylthio)propionic Acids

  摘要：

  DOI：

  10.1007/s10593-005-0154-z

文献信息

• Four- and five-coordinate metal atoms in a supramolecular polymeric assembly of silver(I) with (4-methyl-2-quinolylthio)acetate
  作者：Yu. V. Kokunov、Yu. E. Gorbunova、V. V. Kovalev、L. D. Popov、S. A. Borodkin、G. A. Razgonyaeva、S. A. Kozyukhin

  DOI：10.1134/s0036023616110097

  日期：2016.11

  The coordination compound [Ag2L2(H2O)(2)] center dot 2H2O (I), L = C12H10NO2S has been synthesized by the reaction of AgNO3 with 4-methyl-2-quinolylthioacetic acid (HL) preliminarily neutralized with an equimolar amount of NBu4OH. Its crystal structure has been determined, and luminescence properties have been studied. Crystals of I are monoclinic, space group C2/(c), (a) = 31.239(6) , (b) = 12.056(2) , (c) = 16.846(3) , beta = 122.17(3)A degrees, V = 5370.4(2) (3), rho(calc) = 1.861 g/cm(3), Z = 16. The structure is formed by two crystallographically nonequivalent silver atoms Ag(1) and Ag(2) and two tridentate bridging ligands L coordinated through the S, N, and O atoms. These atoms, together with water molecules, form the coordination environments of the metal atoms with CN = 5 and 4, respectively. The Ag+ ions and the tridentate ligands form infinite [Ag4L4] (n) bands extended in the [001] direction. The presence of outer-sphere water molecules involved in O-H center dot center dot center dot O hydrogen bonding is responsible for the formation of a supramolecular framework structure. The photoluminescence spectrum of compound I shows two bands at similar to 450 and similar to 485 nm corresponding to the blue spectral range.
• Monti et al., Gazzetta Chimica Italiana, 1959, vol. 89, p. 1097,1098, 1100
  作者：Monti et al.

  DOI：——

  日期：——
• Mesoionic compounds with a bridged nitrogen atom. 6. Polymethine dyes of the thiazolo[3,2-?] quinolinium 1-oxide series
  作者：L. T. Gorb、N. N. Romanov、K. V. Fedotov、A. I. Tolmachev

  DOI：10.1007/bf00503332

  日期：1981.4
• Thiazolo[3,2-a]quinolinium 1-oxide derivatives
  作者：L. T. Gorb、N. N. Romanov、A. I. Tolmachev

  DOI：10.1007/bf00473574

  日期：1979.7
• GORB L. T.; POMAHOB N. N.; TOLMACHEV A. I., XIMIYA GETEROTSIKL. SOEDIN., 1979, HO 7, 989-990
  作者：GORB L. T.、 POMAHOB N. N.、 TOLMACHEV A. I.

  DOI：——

  日期：——