2-Methoxy-3,4-dimethyl-9H-thioxanthen-9-one | 646059-18-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: 2-Methoxy-3,4-dimethyl-9H-thioxanthen-9-one
• 英文别名: 2-methoxy-3,4-dimethylthioxanthen-9-one
• CAS: 646059-18-9
• 化学式: C₁₆H₁₄O₂S
• 分子量: 270.352
• InChiKey: UOSQISPOSKIISF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (3-(3,4-二甲基-9-氧-9H-硫杂环-2-基氧基)-2-OH-丙基)三氨基氯 在 水 、 氧气 作用下， 反应 160.0h， 生成 2-Methoxy-3,4-dimethyl-9H-thioxanthen-9-one 、 [3-(3,4-Dimethyl-9,10-dioxothioxanthen-2-yl)oxy-2-hydroxypropyl]-trimethylazanium;chloride 、
  参考文献：
  名称：

  Photooxidative degradation of QTX (a thioxanthone derivative)

  摘要：

  The photooxidative degradation of QTX (2-hydroxy-3-(3,4-dimethyl-9-oxo-9H-thioxanthen-2-yloxy)-N,N,N-trimethyl-l-propanium chloride) has been investigated and photoproducts from QTX degradation in aqueous solution were characterized using HPLC/ESI-MS. The photooxidation of the dye was monitored by electronic absorption spectroscopy. The spectrum of the dye shows bands at 273 and 402 nm. During irradiation, the intensity of these bands decreases together with the appearance of a band at 310-340 nm, typical of oxidized QTX. The chromatograms show the presence of new peaks clue to photoproclucts of QTX degradation that were identified by mass spectroscopy. The peaks at m/z 388, 420 and 270 were attributed to photoproducts, whereas the peak at m/z 372 is due to QTX. The peak at m/z 388 corresponds to the formation of a sulfoxide group and that at m/z 420 suggested the formation of a sulfone with a hydroxyl on the methyl group. The peak at m/z 270 suggests that oxygen reacts with QTX abstracting a hydrogen atom from the carbon bonded the hydroxyl, together with the release of the amino group.

  DOI：

  10.1590/s0103-50532011000200005

文献信息

• Photooxidative degradation of QTX (a thioxanthone derivative)
  作者：Miguel G Neumann、Carla C Schmitt、Alessandra L Poli、José Carlos Netto-Ferreira、Josy A Osajima

  DOI：10.1590/s0103-50532011000200005

  日期：——

  The photooxidative degradation of QTX (2-hydroxy-3-(3,4-dimethyl-9-oxo-9H-thioxanthen-2-yloxy)-N,N,N-trimethyl-l-propanium chloride) has been investigated and photoproducts from QTX degradation in aqueous solution were characterized using HPLC/ESI-MS. The photooxidation of the dye was monitored by electronic absorption spectroscopy. The spectrum of the dye shows bands at 273 and 402 nm. During irradiation, the intensity of these bands decreases together with the appearance of a band at 310-340 nm, typical of oxidized QTX. The chromatograms show the presence of new peaks clue to photoproclucts of QTX degradation that were identified by mass spectroscopy. The peaks at m/z 388, 420 and 270 were attributed to photoproducts, whereas the peak at m/z 372 is due to QTX. The peak at m/z 388 corresponds to the formation of a sulfoxide group and that at m/z 420 suggested the formation of a sulfone with a hydroxyl on the methyl group. The peak at m/z 270 suggests that oxygen reacts with QTX abstracting a hydrogen atom from the carbon bonded the hydroxyl, together with the release of the amino group.