methanesulfonic acid 2-[7-(2-methanesulfonyloxy-ethoxy)-3-(3-nitro-benzoyl)-2-oxo-4a,8a-dihydro-2H-chromen-6-yloxy]-ethyl ester | 349458-77-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methanesulfonic acid 2-[7-(2-methanesulfonyloxy-ethoxy)-3-(3-nitro-benzoyl)-2-oxo-4a,8a-dihydro-2H-chromen-6-yloxy]-ethyl ester
• 英文别名: 2-[7-(2-Methylsulfonyloxyethoxy)-3-(3-nitrobenzoyl)-2-oxochromen-6-yl]oxyethyl methanesulfonate
• CAS: 349458-77-1
• 化学式: C₂₂H₂₁NO₁₃S₂
• 分子量: 571.54
• InChiKey: ZXUHQVCAGLJVDP-UHFFFAOYSA-N

物化性质

• 沸点：
  872.4±65.0 °C(predicted)
• 密度：
  1.533±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  211
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 2-[7-(2-methanesulfonyloxy-ethoxy)-3-(3-nitro-benzoyl)-2-oxo-4a,8a-dihydro-2H-chromen-6-yloxy]-ethyl ester 在 sodium carbonate 、 三氟乙酸 、 sodium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 114.0h， 生成 ({2-[7-[2-(bis-carboxymethyl-amino)-ethoxy]-3-(3-nitro-benzoyl)-2-oxo-4a,8a-dihydro-2H-chromen-6-yloxy]-ethyl}-carboxymethyl-amino)-acetic acid
  参考文献：
  名称：

  Novel polyaminocarboxylate chelates derived from 3-aroylcoumarins

  摘要：

  We have devised efficient reaction pathways to attach aminopolycarboxylate subunits to the 3-aroylcoumarin chromophore. Two series of compounds were thus prepared in which the chelating arms were directly bonded to the coumarin ring (series A) or to the 3-aroyl moiety (series B). The corresponding Eu(m) and Tb(III) chelates were easily formed and their photophysical properties measured. In all the cases, lanthanide emission lifetimes were in the range of ms. Unfortunately, quantum yields were relatively low. Measurement of T-1 states gave too low range of values to sensitize Tb(m). In fact, the metal emission of Tb(III) chelates of series A was not observed. However, series B was able to sensitize both metals. The absorption/energy-transfer/emission mechanisms are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00168-5
• 作为产物：
  描述：

  3-硝基苯甲酰乙酸乙酯 在 哌啶 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 4.33h， 生成 methanesulfonic acid 2-[7-(2-methanesulfonyloxy-ethoxy)-3-(3-nitro-benzoyl)-2-oxo-4a,8a-dihydro-2H-chromen-6-yloxy]-ethyl ester
  参考文献：
  名称：

  Novel polyaminocarboxylate chelates derived from 3-aroylcoumarins

  摘要：

  We have devised efficient reaction pathways to attach aminopolycarboxylate subunits to the 3-aroylcoumarin chromophore. Two series of compounds were thus prepared in which the chelating arms were directly bonded to the coumarin ring (series A) or to the 3-aroyl moiety (series B). The corresponding Eu(m) and Tb(III) chelates were easily formed and their photophysical properties measured. In all the cases, lanthanide emission lifetimes were in the range of ms. Unfortunately, quantum yields were relatively low. Measurement of T-1 states gave too low range of values to sensitize Tb(m). In fact, the metal emission of Tb(III) chelates of series A was not observed. However, series B was able to sensitize both metals. The absorption/energy-transfer/emission mechanisms are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00168-5

文献信息

• Novel polyaminocarboxylate chelates derived from 3-aroylcoumarins
  作者：Ernesto Brunet、Marı́a Teresa Alonso、Olga Juanes、Oscar Velasco、Juan Carlos Rodrı́guez-Ubis

  DOI：10.1016/s0040-4020(01)00168-5

  日期：2001.4

  We have devised efficient reaction pathways to attach aminopolycarboxylate subunits to the 3-aroylcoumarin chromophore. Two series of compounds were thus prepared in which the chelating arms were directly bonded to the coumarin ring (series A) or to the 3-aroyl moiety (series B). The corresponding Eu(m) and Tb(III) chelates were easily formed and their photophysical properties measured. In all the cases, lanthanide emission lifetimes were in the range of ms. Unfortunately, quantum yields were relatively low. Measurement of T-1 states gave too low range of values to sensitize Tb(m). In fact, the metal emission of Tb(III) chelates of series A was not observed. However, series B was able to sensitize both metals. The absorption/energy-transfer/emission mechanisms are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.