1-Methyl-2-trifluoroacetoxy-naphthalene | 123221-21-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Methyl-2-trifluoroacetoxy-naphthalene
• 英文别名: 1-Methyl-2-trifluoracetoxy-naphthalen；1-methyl-2-trifluoacetoxynaphthalene；1-Methyl-2-naphthol, trifluoroacetate ester；(1-methylnaphthalen-2-yl) 2,2,2-trifluoroacetate
• CAS: 123221-21-6
• 化学式: C₁₃H₉F₃O₂
• 分子量: 254.208
• InChiKey: BMHBFHNPEGXERD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-甲基-双(三氟乙酰胺) 、 1-甲基萘-2-醇 在 吡啶 作用下， 生成 1-Methyl-2-trifluoroacetoxy-naphthalene
  参考文献：
  名称：

  Determination of hydroxyaromatic compounds in complex mixtures by tandem mass spectrometry

  摘要：

  AbstractDerivatization of alkylated hydroxyaromatics with N‐methyl‐bis(trifluoracetamide) is used for a rapid screening for alkylated hydroxyaromatic compounds in complex mixtures by tandem mass spectrometry. Applications are based on a detailed investigation of the fragmentation reactions of derivatized alkylated phenols, 2,3‐dihydroindenols, indenols, 1,2,3,4‐terrahydronaphtbols and naphthols. As shown by daughter‐ion mass spectra obtained in different field‐free regions of a BEQQ‐instrument, the loss of CF3COOH, CF3CO˙ or CF3COO˙, respectively, is common for the compounds studied and can be used for their detection by means of neutral mass loss scans.

  DOI：

  10.1002/oms.1210241017

文献信息

• Determination of hydroxyaromatic compounds in complex mixtures by tandem mass spectrometry
  作者：Joachim Stach、Dieter Zimmer、Monika MÖDer And、Rainer Herzschuh

  DOI：10.1002/oms.1210241017

  日期：1989.10

  AbstractDerivatization of alkylated hydroxyaromatics with N‐methyl‐bis(trifluoracetamide) is used for a rapid screening for alkylated hydroxyaromatic compounds in complex mixtures by tandem mass spectrometry. Applications are based on a detailed investigation of the fragmentation reactions of derivatized alkylated phenols, 2,3‐dihydroindenols, indenols, 1,2,3,4‐terrahydronaphtbols and naphthols. As shown by daughter‐ion mass spectra obtained in different field‐free regions of a BEQQ‐instrument, the loss of CF3COOH, CF3CO˙ or CF3COO˙, respectively, is common for the compounds studied and can be used for their detection by means of neutral mass loss scans.