2-(5-benzoacridine) ethyl-p-toluenesulfonate | 1221169-91-0

• 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
• 英文名称: 2-(5-benzoacridine) ethyl-p-toluenesulfonate
• 英文别名: 2-(12-oxobenzo[b]acridin-5(12H)-yl)ethyl-4-toluenesulfonate；2-(12-Oxobenzo[b]acridin-5-yl)ethyl 4-methylbenzenesulfonate；2-(12-oxobenzo[b]acridin-5-yl)ethyl 4-methylbenzenesulfonate
• CAS: 1221169-91-0
• 化学式: C₂₆H₂₁NO₄S
• 分子量: 443.523
• InChiKey: PHIWYYSXPFJVNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  正癸酸 、 2-(5-benzoacridine) ethyl-p-toluenesulfonate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 生成
  参考文献：
  名称：

  超临界CO2萃取获得的胡芦巴籽油

  摘要：

  AbstractSupercritical CO2 extraction (SC‐CO2) of fenugreek (Trigonella foenum‐graecum L.) seed oil and its chemical composition and antioxidant activity were investigated. A central composite design combined with response surface methodology was used to study extraction conditions including pressure, temperature, and time. The optimum extraction conditions were 28.5 MPa extraction pressure, 41 °C extraction temperature, and 118 min extraction time, where 3.78 % yield was predicted. Fenugreek seed oil extracted under optimum conditions by SC‐CO2 was mainly composed of 28.3 % C18:3, 33.45 % C18:2, 9.89 % C16, 8.1 % C18:1, 3.7 % C18, 0.71 % C20, and 0.61 % C22. The fenugreek oil was rich in unsaturated fatty acids (nearly 70 % of the total fatty acids), and polyunsaturated fatty acids accounted for 61.42 % (mass percentage) of the total amount. The 2,2‐diphenyl‐1‐picrylhydrazyl radical‐scavenging activity increased from 12.5 to 88.4 % when the concentration was increased from 1 to 12 mg/ml. The reducing power of the seed oil was concentration‐dependent. The antioxidant activity of the supercritical fluid extraction extract was superior to those obtained by Soxhlet extraction.

  DOI：

  10.1007/s11746-012-2123-x

文献信息

• Ultrasound-assisted dispersive liquid–liquid microextraction method combined with HPLC-fluorescence detection for the determination of glycyrrhetinic acid in liquorice and liquorice-derived food products
  作者：Jinmao You、Hongliang Wu、Guoliang Li、Lian Xia、Mei Zhao、Shuaimin Lu、Weiheng Kong

  DOI：10.1007/s13738-015-0744-3

  日期：2016.2

  A sensitive and inexpensive method involving ultrasound-assisted dispersive liquid–liquid microextraction (UA-DLLME) and pre-column derivatization followed by high-performance liquid chromatography with fluorescence detection (HPLC-FLD) was developed for the analysis of glycyrrhetinic acid. In this work, glycyrrhetinic acid could be obtained by hydrolyzing glycyrrhizic acid to remove glucuronic acid and subsequently extracted by UA-DLLME using chloroform and acetone as the extraction and disperser solvents, respectively. The sample extraction was firstly concentrated to dry under nitrogen and then rapidly derivatized with 2-(12-oxobenzo[b]acridin-5(12H)-yl)-ethyl-4-toluenesulfonate (BAETS) after the UA-DLLME. The prime parameters influencing the UA-DLLME and derivatization procedure were optimized using response surface methodology. Under the optimum conditions, the proposed method has a better linearity in a wider range of 6–300 ng mL−1 and a high square of correlation coefficient (R 2) at 0.9994. Limit of detection and limit of quantification were found to be 1.7 ng mL−1 and 5.8 ng mL−1, respectively. The proposed method was applied to the analysis of glycyrrhetinic acid in liquorice, liquorice apricot and sugar plum samples. For the analysis of the spiked samples, the spiked recoveries were in the range of 90.4–103.0 % with RSD less than 5.18 %. All results demonstrated that the UA-DLLME-HPLC-FLD (ultrasound-assisted dispersive liquid–liquid microextraction-high-performance liquid chromatography with fluorescence detection) was a sensitive, accurate, efficient analytical method for the determination of glycyrrhetinic acid.

  一种敏感且廉价的方法被开发用于分析甘草酸，该方法涉及超声辅助分散液-液微萃取（UA-DLLME）和预柱衍生化，随后进行高效液相色谱法（HPLC）与荧光检测（FLD）。在这项工作中，甘草酸可以通过水解甘草苷去除葡萄糖醛酸，随后采用氯仿和丙酮作为萃取溶剂和分散溶剂，利用UA-DLLME提取。样品萃取首先在氮气下浓缩至干燥，然后在UA-DLLME后迅速用2-(12-氧代苯并[b]氨基-5(12H)-基)-乙基-4-托烯磺酸酯（BAETS）进行衍生化。利用响应面法优化了影响UA-DLLME和衍生化过程的主要参数。在最佳条件下，该方法在6–300 ng·mL−1范围内表现出更好的线性，并且相关系数的平方（R²）高达0.9994。检测限和定量限分别为1.7 ng·mL−1和5.8 ng·mL−1。该方法被应用于分析甘草、甘草杏和糖李样品中的甘草酸。在对加标样品的分析中，加标回收率在90.4–103.0%范围内，重复性相对标准偏差（RSD）小于5.18%。所有结果表明，UA-DLLME-HPLC-FLD（超声辅助分散液-液微萃取-高效液相色谱法与荧光检测）是一种敏感、准确且高效的甘草酸测定分析方法。
• <i>Trigonella foenum</i> ‐ <i>graecum</i> L. Seed Oil Obtained by Supercritical CO ₂ Extraction
  作者：Renming Yang、Honglun Wang、Nianhua Jing、Chenxu Ding、Yourui Suo、Jinmao You

  DOI：10.1007/s11746-012-2123-x

  日期：2012.12

  AbstractSupercritical CO2 extraction (SC‐CO2) of fenugreek (Trigonella foenum‐graecum L.) seed oil and its chemical composition and antioxidant activity were investigated. A central composite design combined with response surface methodology was used to study extraction conditions including pressure, temperature, and time. The optimum extraction conditions were 28.5 MPa extraction pressure, 41 °C extraction temperature, and 118 min extraction time, where 3.78 % yield was predicted. Fenugreek seed oil extracted under optimum conditions by SC‐CO2 was mainly composed of 28.3 % C18:3, 33.45 % C18:2, 9.89 % C16, 8.1 % C18:1, 3.7 % C18, 0.71 % C20, and 0.61 % C22. The fenugreek oil was rich in unsaturated fatty acids (nearly 70 % of the total fatty acids), and polyunsaturated fatty acids accounted for 61.42 % (mass percentage) of the total amount. The 2,2‐diphenyl‐1‐picrylhydrazyl radical‐scavenging activity increased from 12.5 to 88.4 % when the concentration was increased from 1 to 12 mg/ml. The reducing power of the seed oil was concentration‐dependent. The antioxidant activity of the supercritical fluid extraction extract was superior to those obtained by Soxhlet extraction.