4-hydroxy-1-methyl-3-trifluoromethyl-8H-benzo[cd]azulen-8-one | 1198330-41-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-hydroxy-1-methyl-3-trifluoromethyl-8H-benzo[cd]azulen-8-one
• CAS: 1198330-41-4
• 化学式: C₁₅H₉F₃O₂
• 分子量: 278.23
• InChiKey: BZSDBYDZKJELIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  4-hydroxy-8-isopropylidene-1-methyl-3-trifluoromethyl-8H-benzo[cd]azulene 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以53%的产率得到4-hydroxy-1-methyl-3-trifluoromethyl-8H-benzo[cd]azulen-8-one
  参考文献：
  名称：

  苯并[ cd ] azulene骨架：Azulene，Heptafulvene和tropone衍生物

  摘要：

  由于我们对蛋白激酶调节化合物的兴趣，我们开发了苯并[ cd ] azulenes的合成方法。通过使用非常常见的催化剂和试剂，例如t- BuOK，HCl和m CPBA，可将市售的愈创木酚分三步转化为三环tropone衍生物。愈创木烯的亲电子芳族取代反应在没有催化剂的情况下进行。复杂的单罐反应，转换1'-羟薁成三环heptafulvenes，最后，所述温和的氧化剂米CPBA裂解semicyclic C = C双键，得到tropones。

  DOI：

  10.1021/ol902283q

文献信息

• Rotating multitip micropillar array electrospray ionization-mass spectrometry for rapid analysis and high-throughput screening
  作者：Teemu Nissilä、Nina Backman、Marjo Kolmonen、Antti Leinonen、Alexandros Kiriazis、Jari Yli-Kauhaluoma、Lauri Sainiemi、Risto Kostiainen、Sami Franssila、Raimo A. Ketola

  DOI：10.1016/j.ijms.2011.11.013

  日期：2012.1

  The applications of rapid screening benzodiazepines from urine and determining synthetic reaction products and kinetics semi-quantitatively using a microfabricated rotating multitip electrospray ionization (ESI) platform for mass spectrometry (MS) is presented. The ESI tips are based on lidless micropillar array ESI (mu PESI) sources where the transfer of liquid is based on capillary forces without external pumping. A single silicon platform contains 60 separate mu PESI tips which can be individually used by rotating the whole platform by six degrees each time from tip to tip using a computer control. The rotating multi tip mu PESI platform with an ion trap mass spectrometer was successfully demonstrated in rapid identification and monitoring of intermediates and final products in chemical synthesis within 10 min. The system was also applied to high-throughput screening of benzodiazepines from urine samples. Urine samples were extracted with solid-phase extraction (SPE) using C-18 phase ZipTip (TM) pipettes, enabling the use as small sample volumes as 50 mu L of the urine sample. Therefore the whole sample treatment and the analysis with the rotating multitip mu PESI-MS took only 5 min per sample. (C) 2011 Elsevier B.V. All rights reserved.