9-甲基-4-(三氟甲基)-7,8-二氢-6H-吡喃并[5,6-g]喹啉-2-酮 | 53518-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 9-甲基-4-(三氟甲基)-7,8-二氢-6H-吡喃并[5,6-g]喹啉-2-酮
• 英文名称: Coumarin 522
• 英文别名: C522；2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-9-methyl-4-(trifluoromethyl)-；9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one
• CAS: 53518-19-7
• 化学式: C₁₄H₁₂F₃NO₂
• 分子量: 283.25
• InChiKey: IMVPLRZGEHZIEM-UHFFFAOYSA-N

物化性质

• 熔点：
  197-198 °C(Solv: acetonitrile (75-05-8))
• 沸点：
  386.8±42.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  香豆素-340 以87%的产率得到
  参考文献：
  名称：

  ATKINS R. L.; BLISS D. E., J. ORG. CHEM., 1978, 43, NO 10, 1975-1980

  摘要：

  DOI：

文献信息

• HAMMOND P. R.; AKINS R. L., J. HETEROCYCL. CHEM. <JHTC-AD>, 1975, 12, NO 5, 1061
  作者：HAMMOND P. R.、 AKINS R. L.

  DOI：——

  日期：——
• Process for Detecting Gaseous Halogenated Compounds
  申请人：Tran-Thi Thu-Hoa

  公开号：US20100136704A1

  公开（公告）日：2010-06-03

  Process for detecting a gaseous compound of BX 3 , HX or X 2 type within a gas using a composition containing a probe molecule, characterized in that the probe molecule is a molecule for which the reaction with one or more compounds of BX 3 , HX or X 2 type leads to a variation of at least one of its physicochemical properties, this variation being measurable via a suitable analysis technique, and in that the following steps are carried out in this order: (a) measurement of said physicochemical property of the probe molecule, such as a spectral property, (b) bringing the gas into contact with the composition containing the probe molecule from step (a), (c) repeat measurement of said physicochemical property, (d) correlation of the variation of said spectral property between steps (a) and (c) in the presence of said gaseous compound of BX 3 , HX or X 2 type, the measurement of the physicochemical property from step (a) possibly being a prior step, process for trapping gaseous compounds of BX 3 , HX or X 2 type contained in a gas, material capable of reacting with at least one compound of BX 3 , HX or X 2 type in gaseous form and sensor for compounds of BX 3 , HX or X 2 type.
• US8647885B2
  申请人：——

  公开号：US8647885B2

  公开（公告）日：2014-02-11
• ATKINS R. L.; BLISS D. E., J. ORG. CHEM., 1978, 43, NO 10, 1975-1980
  作者：ATKINS R. L.、 BLISS D. E.

  DOI：——

  日期：——