2,6-Diaethyl-4-methylpyrylium | 45953-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2,6-Diaethyl-4-methylpyrylium
• 英文别名: InChI=1/C10H15O/c1-4-9-6-8(3)7-10(5-2)11-9/h6-7H,4-5H2,1-3H3/q+；2,6-diethyl-4-methylpyrylium
• CAS: 45953-90-0
• 化学式: C₁₀H₁₅O
• 分子量: 151.228
• InChiKey: LEEONPWTHIPRPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.99
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,6-Diaethyl-4-methylpyrylium 在 碳酸氢钠 、 一水合肼 作用下， 生成 3,7-diethyl-5-methyl-4H-1,2-diazepine
  参考文献：
  名称：

  Electron impact mass spectra of 3,5,7-triaryl-and -trialkyl-4H-1,2-diazepines

  摘要：

  AbstractElectron impact mass spectra of 3,5,7‐trisubstituted 4H‐1,2‐diazepines indicate that aryl substituents lead to N2expulsion while alkyl substitutents do not. A common fragmentation pattern is observed and discussed for all alkyldiazepines, most of which are newly reported compounds. Assignments are based on electron impact mass spectra of deuteriated substrates and high resolution mass spectra. A previous interpretation of N2expulsion is corrected.

  DOI：

  10.1002/oms.1210181006

文献信息

• METHOD FOR MULTIPLE QUANTIFICATION OF AMINO GROUP-CONTAINING NON-PEPTIDIC COMPOUND WITH HIGH EFFICIENCY AND HIGH SENSITIVITY AND KIT THEREFOR
  申请人：MATSUKAWA Shigeru

  公开号：US20120252052A1

  公开（公告）日：2012-10-04

  A method of quantifying a target non-peptidic compound having an amino group contained in one or more biological samples, which comprises a step of producing a difference in the mass of the target non-peptidic compound between samples, by using a combination of two or more kinds of stable isotopes of a compound represented by the formula (I): wherein R 1 , R 2 and R 3 are the same or different and each is hydrogen, halogen or alkyl, or a salt thereof, as a labeling compound; and a kit and the like usable for such method.

  一种定量含有氨基团的靶非肽化合物在一个或多个生物样本中的方法，包括以下步骤：使用化合物(I)的两种或两种以上的稳定同位素的组合，其中化合物(I)的公式如下：其中R1、R2和R3相同或不同，每个是氢、卤素或烷基，或其盐，作为标记化合物，在样本之间产生目标非肽化合物的质量差异；以及可用于该方法的试剂盒等。
• PROTEIN ANALYSIS METHOD USING ISOTOPE COMPOUND AS LABEL
  申请人：Matsukawa Shigeru

  公开号：US20100190261A1

  公开（公告）日：2010-07-29

  The present invention provides a protein analysis method using a combination of two or more kinds of stable isotopes of a compound represented by the formula (I): wherein R 1 , R 2 and R 3 are the same or different and each is hydrogen, halogen or alkyl, or a salt thereof, as a labeling compound to produce a difference in the mass of the same kind of protein contained in each sample.
• Electron impact mass spectra of 3,5,7-triaryl-and -trialkyl-4H-1,2-diazepines
  作者：Alexandru T. Balaban、Mircea D. Gheorghiu、Teodor Silviu Balaban

  DOI：10.1002/oms.1210181006

  日期：1983.10

  AbstractElectron impact mass spectra of 3,5,7‐trisubstituted 4H‐1,2‐diazepines indicate that aryl substituents lead to N2expulsion while alkyl substitutents do not. A common fragmentation pattern is observed and discussed for all alkyldiazepines, most of which are newly reported compounds. Assignments are based on electron impact mass spectra of deuteriated substrates and high resolution mass spectra. A previous interpretation of N2expulsion is corrected.

表征谱图