9-蒽羧酸乙酯 | 1754-54-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 9-蒽羧酸乙酯
• 英文名称: Anthracene-9-carboxylic acid ethyl ester
• 英文别名: ethyl anthracene-9-carboxylate；ethyl 9-anthracenecarboxylate；9-ethyl anthroate；ethyl 9-anthroate；ethyl-9-anthroate
• CAS: 1754-54-7
• 化学式: C₁₇H₁₄O₂
• 分子量: 250.297
• InChiKey: HAIGJDFIKOFIAB-UHFFFAOYSA-N

物化性质

• 熔点：
  108-109 °C(Solv: acetone (67-64-1))
• 沸点：
  416.1±14.0 °C(Predicted)
• 密度：
  1.180±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  9-蒽羧酸乙酯 以 甲苯 为溶剂， 生成 C₃₄H₂₈O₄
  参考文献：
  名称：

  Low-Temperature Emission Spectra of 9-Alkylanthracene Esters:Dimer Photodecomposition and Monomer Pair Interactions in Polymer Hosts

  摘要：

  Effects due to variation in the alkyl chain length of photodimers of 9-alkylanthracene esters on their photodecomposition efficiencies at 12 K and, by implication, the photoproduct migration as a function of temperature within polymer hosts are investigated. It is shown that dimers with longer alkyl chains have a lower photodecomposition efficiency. The extent of photoproduct migration within the polymer following photodecomposition was also studied as a function of alkyl chain length. This migration and its modulation of the interaction between the separating monomers is shown to affect the emission spectrum. Thus, monomer migration was studied in temperature cycling experiments, It was also found, for the polymer hosts investigated-poly(methyl methacrylate), poly(vinyl chloride), and polystyrene-that these properties are host dependent. This result is probably due to the void space differences that exist among these polymers.

  DOI：

  10.1021/j100091a009
• 作为产物：
  描述：

  ethyl 10-sulfanyl-9,10-dihydroanthracene-9-carboxylate 以77%的产率得到
  参考文献：
  名称：

  LARSEN CH.; HARPP D. N., J. ORG. CHEM., 1980, 45, NO 18, 3713-3716

  摘要：

  DOI：

文献信息

• Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives
  作者：Lingyan Zhu、Arun Agarwal、Jinfeng Lai、Rabih O. Al-Kaysi、Fook S. Tham、Tarek Ghaddar、Leonard Mueller、Christopher J. Bardeen

  DOI：10.1039/c1jm10228a

  日期：——

  A series of 9-anthroate esters that can form photoresponsive molecular crystal nanorods is prepared and their properties are investigated. All crystal structures that can support a [4 + 4] photodimerization reaction lead to nanorods that undergo photomechanical deformations without fragmentation. In order to determine the molecular-level motions that give rise to the nanorod photomechanical response, the reaction of anthracene-9-carboxylic acid tert-butyl ester is studied in detail using X-ray diffraction and solid-state NMR techniques. The monomer crystal is well-aligned within the nanorod and reacts to form the photodimer crystal according to first-order kinetics. The solid-state reacted dimer crystal is a metastable intermediate that slowly converts into the low energy dimer crystal structure over the course of weeks. Based on single crystal X-ray diffraction studies and solid-state NMR data, this intermediate structure is likely composed of the [4 + 4] photodimer that has not yet undergone the ester group rotations and repacking is necessary to form the lower energy crystal polymorph that is produced directly by crystallization from solution. Our results show that the photomechanical response of these molecular crystal nanostructures is determined by nonequilibrium intermediate states and cannot be predicted based solely on knowledge of the equilibrium reactant and product crystal structures.

  制备了一系列可形成光响应分子晶体纳米棒的9-蒽甲酸酯并研究了其性能。所有可以支持 [4 + 4] 光二聚反应的晶体结构都会导致纳米棒经历光机械变形而不会碎裂。为了确定引起纳米棒光机械响应的分子级运动，使用 X 射线衍射和固态 NMR 技术详细研究了蒽-9-甲酸叔丁酯的反应。单体晶体在纳米棒内排列良好，并根据一级动力学反应形成光二聚体晶体。固态反应二聚体晶体是一种亚稳态中间体，可在数周内缓慢转化为低能二聚体晶体结构。基于单晶 X 射线衍射研究和固态 NMR 数据，这种中间结构可能由尚未经历酯基旋转的 [4 + 4] 光二聚体组成，并且需要重新包装以形成较低能量的晶体多晶型物它是通过从溶液中结晶直接产生的。我们的结果表明，这些分子晶体纳米结构的光机械响应是由非平衡中间态决定的，不能仅根据平衡反应物和产物晶体结构的知识来预测。
• Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases
  申请人：Baden Daniel G.

  公开号：US20090018184A1

  公开（公告）日：2009-01-15

  Disclosed are compounds that are derivatives of brevetoxin, or PbTx, pharmaceutical formulations comprising the compounds, and methods of regulating mucus transport in a cell, treating mucociliary dysfunction and diseases related to decreased mucus transport, wherein the compounds are of the Formula (I), and Formula (III): wherein R, R 1 , R 2 , R 3 , A, n, and Y are as defined herein for each compound.

  本发明涉及衍生自致呕毒素或PbTx的化合物，包括该化合物的药物制剂，以及调节细胞粘液运输、治疗粘毛功能障碍和与粘液运输减少相关的疾病的方法。其中，该化合物为公式（I）和公式（III）所示的化合物：其中R、R1、R2、R3、A、n和Y对于每个化合物均如本文所定义。
• Synthesis and Primary Activity Assay of Novel Benitrobenrazide and Benserazide Derivatives
  作者：Karolina Juszczak、Wojciech Szczepankiewicz、Krzysztof Walczak

  DOI：10.3390/molecules29030629

  日期：——

  hydrazone or hydrazine linker acylated on an N′ nitrogen atom by serine or a 4-nitrobenzoic acid fragment. To avoid the presence of a toxicophoric nitro group in the benitrobenrazide molecule, we introduced common pharmacophores such as 4-fluorophenyl or 4-aminophenyl substituents. Modification of benserazide requires the introduction of other endogenous amino acids instead of serine. Herein, we report the

  席夫碱因其在化学合成和药物化学中的应用而引起了研究兴趣。近年来，含有亚胺部分的苯甲酰肼和苄丝肼已被合成，并被鉴定为有前途的己糖激酶 2 (HK2) 抑制剂，己糖激酶 2 是一种在大多数癌细胞中过度表达的酶。苄丝肼和苯硝基苯肼具有共同的结构片段，即通过在 N' 氮原子上被丝氨酸或 4-硝基苯甲酸片段酰化的腙或肼连接体连接的 2,3,4-三羟基苯甲醛部分。为了避免苯甲肼分子中出现有毒硝基，我们引入了常见的药效基团，例如 4-氟苯基或 4-氨基苯基取代基。苄丝肼的修饰需要引入其他内源氨基酸而不是丝氨酸。在此，我们报告了苯硝基苯肼和苯丝肼类似物的合成以及这些结构变化引起的 HK2 抑制活性的初步结果。该衍生物含有氟原子或氨基，而不是BNB中的硝基，在1μM浓度下对HK2表现出最强的抑制作用，HK2抑制率分别为60%和54%。
• Polynucleotide cleavage agent switched on by photo irradiation
  申请人：TOTTORI UNIVERSITY

  公开号：US20040058346A1

  公开（公告）日：2004-03-25

  The present invention provides a polynucleotide cleavage agent switched on by photo-irradiation and a method of cleaving or decomposing a polynucleotide such as DNA or RNA using this agent switched on in this manner. More specifically, said polynucleotide cleavage agent switched on by photo-irradiation comprises cyclopropane or a 2,2-dihalogeno-cyclopropane ring between “A” unit and “B” unit, wherein said “A” unit is an aromatic group having an electron withdrawing property and is excited by photo-irradiation, and said “B” unit is a hydrophilic functional group. Said polynucleotide cleavage agent may further contain “C” unit which can recognize DNA sequences, and also a spacer molecule, if desired.

  本发明提供了一种通过光照射开启的多核苷酸裂解剂，以及使用这种通过光照射开启的多核苷酸裂解剂裂解或分解 DNA 或 RNA 等多核苷酸的方法。更具体地说，所述通过光照射开启的多核苷酸裂解剂包括环丙烷或介于 "A "单元和 "B "单元之间的 2,2-二卤代环丙烷环，其中所述 "A "单元是具有取电子特性并通过光照射激发的芳香基团，而所述 "B "单元是亲水官能团。所述多核苷酸裂解剂可进一步包含可识别 DNA 序列的 "C "单元，如果需要，还可包含一个间隔分子。
• Thiocarbonyl transfer reagent chemistry. 2. Diels-Alder addition of 1,1'-thiocarbonylbis(1,2,4-triazole) to dienes. A useful preparation of bicyclic sulfides and related derivatives
  作者：Charles Larsen、David N. Harpp

  DOI：10.1021/jo01306a034

  日期：1980.8