2-O-benzyl 1-O-tert-butyl 5-iodo-4-(3-methoxy-3-oxopropyl)-3-methylpyrrole-1,2-dicarboxylate | 850425-82-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-O-benzyl 1-O-tert-butyl 5-iodo-4-(3-methoxy-3-oxopropyl)-3-methylpyrrole-1,2-dicarboxylate
• CAS: 850425-82-0
• 化学式: C₂₂H₂₆INO₆
• 分子量: 527.356
• InChiKey: OSHPAWJQXGRJIL-UHFFFAOYSA-N

物化性质

• 沸点：
  575.0±60.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  83.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-O-benzyl 1-O-tert-butyl 5-iodo-4-(3-methoxy-3-oxopropyl)-3-methylpyrrole-1,2-dicarboxylate 在 palladium on activated charcoal 、 氢气 、 铜 、 三氟乙酸 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.34h， 生成 5,5'-diformyl-3,3'-bis(methoxycarbonylethyl)-4,4'-dimethyl-2,2'-bipyrrole
  参考文献：
  名称：

  Functionalized expanded porphyrins

  摘要：

  本发明涉及功能化的扩展卟啉，可用作高价态锕系阳离子的光谱传感器。所述功能化的扩展卟啉相对于未功能化的体系具有优势，因为它们可以通过共价连接到含无机或有机聚合物或其他常见基底的固体支持上而被固定。本发明还涉及包含所述功能化的扩展卟啉的基板。此外，本发明还涉及制备所述化合物（固定和自由态）、将其用作传感器以检测高价态锕系元素的方法、包括所述化合物的装置和试剂盒的方法。

  公开号：

  US08580845B2
• 作为产物：
  描述：

  5-Benzyloxycarbonyl-4-methyl-3-(2-methoxycarbonylethyl)pyrrole-2-carboxylic acid 在 4-二甲氨基吡啶 、 水 、 碘 、 potassium iodide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-O-benzyl 1-O-tert-butyl 5-iodo-4-(3-methoxy-3-oxopropyl)-3-methylpyrrole-1,2-dicarboxylate
  参考文献：
  名称：

  Functionalized expanded porphyrins

  摘要：

  本发明涉及功能化的扩展卟啉，可用作高价态锕系阳离子的光谱传感器。所述功能化的扩展卟啉相对于未功能化的体系具有优势，因为它们可以通过共价连接到含无机或有机聚合物或其他常见基底的固体支持上而被固定。本发明还涉及包含所述功能化的扩展卟啉的基板。此外，本发明还涉及制备所述化合物（固定和自由态）、将其用作传感器以检测高价态锕系元素的方法、包括所述化合物的装置和试剂盒的方法。

  公开号：

  US08580845B2

文献信息

• Alkylation of Magnesium Sulfinates:  A Direct Transformation of Functionalized Aromatic/Heteroaromatic Halides into Sulfones
  作者：Jiang-Ping Wu、Jonathan Emeigh、Xi-Ping Su

  DOI：10.1021/ol0474554

  日期：2005.3.1

  [reaction: see text] Sulfinate alkylation is one of the conventional methods for sulfone synthesis. The alkylation of magnesium sulfinates, which are easily accessible via reactions of organomagnesium intermediates with sulfur dioxide, provides a convenient route for sulfone preparation. In this communication, we report a preliminary study of the alkylation of arylmagnesium sulfinates. An application

  [反应：见正文]亚磺酸盐烷基化是砜合成的常规方法之一。亚磺酸镁的烷基化很容易通过有机镁中间体与二氧化硫的反应获得，为砜的制备提供了便利的途径。在此通讯中，我们报告了对芳基亚磺酸镁烷基化的初步研究。还描述了该反应在将官能化的芳族/杂芳族卤化物直接转化为砜中的应用。
• Immobilization of a hexaphyrin(1.0.1.0.0.0) derivative onto a tentagel-amino resin and its use in uranyl cation detection
  作者：Patricia J. Melfi、Salvatore Camiolo、Jeong Tae Lee、Mehnaaz F. Ali、John T. McDevitt、Vincent M. Lynch、Jonathan L. Sessler

  DOI：10.1039/b718627d

  日期：——

  The synthesis of an isoamethyrin derivative containing two CH2CH2CO2CH3 moieties in the β-pyrrolic positions and its use in the colorimetric detection of the uranyl cation after immobilization onto a solid support is reported.

  报告了一种在β-吡咯位置含有两个 CH2CH2CO2CH3 分子的异甲基林衍生物的合成及其在固定到固体支持物上后用于铀酰阳离子的比色检测。
• Blue Myoglobin Reconstituted with an Iron Porphycene Shows Extremely High Oxygen Affinity
  作者：Takashi Hayashi、Hirohisa Dejima、Takashi Matsuo、Hideaki Sato、Dai Murata、Yoshio Hisaeda

  DOI：10.1021/ja0265052

  日期：2002.9.1

  Myoglobin will be a good scaffold for engineering a function into proteins. To modulate the physiological function of myoglobin, almost all approaches have been demonstrated by site-directed mutagenesis, however, there are few studies which show a significant improvement in the function. In contrast, we focused on the replacement of heme in the protein with an artificial prosthetic group. Recently, we prepared a novel myoglobin reconstituted with an iron porphycene as a structural isomer of mesoheme. The bluish colored reconstituted myoglobin is relatively stable and the deoxymyoglobin reversibly binds ligands. Interestingly, the O2 affinity of the reconstituted myoglobin, 1.1 x 109 M-1, is a significant 1,400-fold higher than that of the native myoglobin. Furthermore, the unfavorable autoxidation kinetics show 7-fold decrease in rate for the reconstituted myoglobin relative to the native myoglobin, indicating the stable oxy-form against autoxidation. The net results come from the slow dissociation of the O2 ligand in the reconstituted myoglobin, koff = 0.11 s-1, because of the formation of strong hydrogen bond between His64 and negatively charged dioxygen. The present study indicates that the replacement of native heme with an artificially created prosthetic group will give us a unique function into a hemoprotein.
• FUNCTIONALIZED EXPANDED PORPHYRINS
  申请人：Sessler Jonathan L.

  公开号：US20100197031A1

  公开（公告）日：2010-08-05

  Disclosed are functionalized expanded porphyrins that can be used as spectrometric sensors for high-valent actinide cations. The disclosed functionalized expanded porphyrins have the advantage over unfunctionalized systems in that they can be immobilized via covalent attachment to a solid support comprising an inorganic or organic polymer or other common substrates. Substrates comprising the disclosed functionalized expanded porphyrins are also disclosed. Further, disclosed are methods of making the disclosed compounds (immobilized and free), methods of using them as sensors to detect high valent actinides, devices that comprise the disclosed compounds, and kits.
• US8580845B2
  申请人：——

  公开号：US8580845B2

  公开（公告）日：2013-11-12