4-芘-1-基丁酸乙酯 | 59275-39-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 中文名称: 4-芘-1-基丁酸乙酯
• 英文名称: 4-(1-pyrene)butanoic acid ethyl ester
• 英文别名: 4-pyren-1-yl butyric acid ethyl ester；9-pyrenebutyric acid ethyl ester；ethyl 4-(1-pyrenyl)butanoate；4-pyren-1-yl-butyric acid ethyl ester；4-Pyren-1-yl-buttersaeure-aethylester；Ethyl 4-(pyren-1-yl)butanoate；ethyl 4-pyren-1-ylbutanoate
• CAS: 59275-39-7
• 化学式: C₂₂H₂₀O₂
• 分子量: 316.4
• InChiKey: XNZNRXZOOFWLIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-芘-1-基丁酸乙酯 在 palladium on activated charcoal 盐酸 、 氢氧化钾 、 sodium tetrahydroborate 、 氢氟酸 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.08h， 生成 苯并[a]芘
  参考文献：
  名称：

  Carbon-13 labeled benzo[a]pyrenes and derivatives. 4. Labeling the 7-10 positions

  摘要：

  DOI：

  10.1021/jo00171a040
• 作为产物：
  描述：

  3-羟基-4-(1-芘基)丁酸乙酯 在 亚磷酸三苯酯 、 sodium tetrahydroborate 、 三丁基氯化锡 、 溴 作用下， 以 乙醇 、 苯 为溶剂， 反应 2.25h， 生成 4-芘-1-基丁酸乙酯
  参考文献：
  名称：

  Carbon-13 labeled benzo[a]pyrenes and derivatives. 4. Labeling the 7-10 positions

  摘要：

  DOI：

  10.1021/jo00171a040

文献信息

• MOLECULARLY IMPRINTED SMART POLYMERS (MISPs)
  申请人：Grynszpan Flavio

  公开号：US20110166297A1

  公开（公告）日：2011-07-07

  Molecularly imprinted smart polymers (MISPs) are provided herein, as well as novel monomers for preparing MISPs, and processes for preparing MISPs. The MISPs can be used applications such as, for example, detecting/absorbing or isolating biological and non-biological agents. The MISPs described herein comprise responsive monomeric units which undergo a physico-chemical change (e.g., a bond formation or cleavage) in response to an external change, such that the MISP selectively binds to a target molecule and releases a bound target molecule in response to the external change.

  本文提供了分子印迹智能聚合物（MISPs），以及用于制备MISPs的新型单体和制备MISPs的过程。MISPs可用于检测/吸收或隔离生物和非生物试剂等应用。本文描述的MISPs包括响应性单体单元，其在响应外部变化时（例如，键的形成或断裂），使MISP选择性地结合到目标分子，并在响应外部变化时释放结合的目标分子。
• Surface effects in the esterification of 9-pyrenebutyric acid within a glass micro reactor
  作者：Monica Brivio、R. Edwin Oosterbroek、Willem Verboom、Martijn H. Goedbloed、Albert van den Berg、David N. Reinhoudt

  DOI：10.1039/b305226p

  日期：——

  Surface phenomena are an important contribution to the “chip effect”, leading to higher yields and shorter reaction times, as demonstrated for the acid-catalysed esterification of 9-pyrenebutyric acid within a glass fabricated micro reactor.

  表面现象是 "芯片效应 "的一个重要因素，它可以提高产量，缩短反应时间，在玻璃制造的微型反应器中，9-芘丁酸的酸催化酯化反应就证明了这一点。
• Fluorescence quenching based oxygen sensor
  申请人：Honeywell International Inc.

  公开号：EP2461154A1

  公开（公告）日：2012-06-06

  A fluorescence quenching based oxygen sensor can be prepared comprising a polystyrene polymer linked to pyrene. The fluorescence based sensor has the formula (I),          Polystyrene-Y-R-Pyrene ;     (I) whereinY is fluorescence quenching and R is an aliphatic linking group having 1 to 11 carbon atoms. The sensor can be coated onto a support and integrated with an LED excitation source and fluorescence detector.

  可以制备一种基于荧光淬灭的氧传感器，该传感器由与芘相连的聚苯乙烯聚合物组成。这种基于荧光的传感器具有式（I）、 聚苯乙烯-Y-R-芘；(I) 其中，Y 为荧光淬灭剂 和 R 是具有 1 至 11 个碳原子的脂肪族连接基团。该传感器可涂在支架上，并与 LED 激发源和荧光检测器集成。
• Photoinduced Electron Transfer between Non-Native Donor−Acceptor Moieties Incorporated in Synthetic Polypeptide Aggregates
  作者：Guilford Jones、Valentine I. Vullev

  DOI：10.1021/ol026656+

  日期：2002.11.1

  [GRAPHICS]A series of analogous photoactive polypeptides that form helical homo and hetero aggregates in aqueous media were prepared. A pyrenyl ketone (the principal chromophore and an electron acceptor) was attached to the N-termini. An electron donor, amidoethylcarbazole, was introduced as a side chain of a non-native amino acid, NCb, 14 residues away. Photoinduced electron-transfer rate constants of the order of 10(8) s(-1) between remote pyrene and carbazole were measured.
• Bio-orthogonal Phosphatidylserine Conjugates for Delivery and Imaging Applications
  作者：Andrew J. Lampkins、Edward J. O’Neil、Bradley D. Smith

  DOI：10.1021/jo8011336

  日期：2008.8.1

  The syntheses of phosphatidylserine (PS) conjugates are described, including fluorescent derivatives for potential cellular delivery and bioimaging applications. Installation of terminal functional groups (amine, thiol, or alkyne) onto the sn-2 chain provides reactive sites for bio-orthogonal conjugation of cargo with suitably protected PS derivatives. An amine-containing PS forms amide bonds with peptidic cargo, a thiol derivative is designed for conjugation to cargo that contain alpha-halo carbonyls or Michael acceptors, and the terminal alkyne PS analogue permits "click" conjugation with any azide-tagged molecule. This latter conjugation method is quite versatile as it can be performed without PS headgroup protection, in aqueous media, and with acid-labile cargo.