2,4-bis(2-methyl-4-dimethylaminophenyl)-1,3-cyclobutadienediylium-1,3-diolate | 63842-82-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4-bis(2-methyl-4-dimethylaminophenyl)-1,3-cyclobutadienediylium-1,3-diolate
• 英文别名: 2,4-Bis[4-(dimethylamino)-2-methylphenyl]cyclobuta-1,3-diene-1,3-diolate
• CAS: 63842-82-0
• 化学式: C₂₂H₂₄N₂O₂
• 分子量: 348.445
• InChiKey: UULKWIRGZPTJOD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N-二甲基-间甲基苯胺 、 方酸二正丁酯 在 硫酸 、 水 作用下， 以 正丁醇 为溶剂， 以56%的产率得到2,4-bis(2-methyl-4-dimethylaminophenyl)-1,3-cyclobutadienediylium-1,3-diolate
  参考文献：
  名称：

  Law, Kock-Yee; Bailey, F. Court, Canadian Journal of Chemistry, 1986, vol. 64, p. 2267 - 2273

  摘要：

  DOI：

文献信息

• Law, Kock-Yee; Bailey, F. Court; Bluett, Lynn J., Canadian Journal of Chemistry, 1986, vol. 64, p. 1607 - 1619
  作者：Law, Kock-Yee、Bailey, F. Court、Bluett, Lynn J.

  DOI：——

  日期：——
• Chromogenic detection of hydrogen sulfide using squarylium-based chemosensors
  作者：Ha Lim Noh、Byeong M. Oh、Young Ki Park、Hye W. Chun、Junyeop Lee、Jae Keon Kim、Jian Zheng、Daewoong Jung、Woosung Lee、Jong H. Kim

  DOI：10.1016/j.saa.2020.118457

  日期：2020.10

  Squarylium-based colorimetric hydrogen sulfide (H2S) chemosensors (SQ1, SQ2, and SQ3) were developed, and their detection properties were systematically characterized. SQ1 exhibited rapid and high resolution H2S sensing properties through significant color changes detectable by naked-eye with limit of detection as low as 7.2 ppb. SQ1 also showed excellent selectivity for H2S detection over other relevant anions and nucleophiles. Sensing mechanisms of SQ1 were investigated based on spectroscopic and 1H NMR analyses with quantum calculations. Furthermore, SQ1 showed an efficient response to H2S under versatile conditions in the solution, solid, and dyed fabric states, which suggests applicability of SQ1 to simple, low-cost, and practical H2S sensors.
• Law, Kock-Yee; Bailey, F. Court, Canadian Journal of Chemistry, 1986, vol. 64, p. 2267 - 2273
  作者：Law, Kock-Yee、Bailey, F. Court

  DOI：——

  日期：——