anthracene 1-acetic acid | 15316-82-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: anthracene 1-acetic acid
• 英文别名: 1-anthraceneacetic acid；[1]anthryl-acetic acid；[1]Anthryl-essigsaeure；Anthracen-1-yl-essigsaeure；Anthracen-1-ylessigsaeure；1-Anthryl-essigsaeure；Anthrazenessigsaure；2-anthracen-1-ylacetic acid
• CAS: 15316-82-2
• 化学式: C₁₆H₁₂O₂
• 分子量: 236.27
• InChiKey: LQYNVIHTHGRHBD-UHFFFAOYSA-N

物化性质

• 熔点：
  189 °C
• 沸点：
  470.3±14.0 °C(Predicted)
• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  anthracene 1-acetic acid 、 tert-butyl N-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)glycinate 在 1-羟基苯并三唑 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以76%的产率得到tert-butyl N-[2-(N-9-fluorenylmethoxycarbonyl)aminoethyl]-N-[(anthracene-1-yl)acetyl] glycinate
  参考文献：
  名称：

  Polycyclic aromatic hydrocarbons as universal bases in peptide nucleic acid

  摘要：

  Polycyclic aromatic hydrocarbons were found to be promising universal bases in PNA.DNA double helices. Several of the arenes paired promiscuously with any of the four canonical bases. However, the stabilities of the duplexes depended on the size and shape of the arene. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.09.019
• 作为产物：
  描述：

  1-Chlormethyl-anthracen 在 氢氧化钾 作用下， 生成 anthracene 1-acetic acid
  参考文献：
  名称：

  The Alkaline Hydrolysis of Polynuclear Methyl Arylacetates

  摘要：

  DOI：

  10.1021/ja01070a022

文献信息

• Potential antitumor agents. 62. Structure-activity relationships for tricyclic compounds related to the colon tumor active drug 9-oxo-9H-xanthene-4-acetic acid
  作者：Gordon W. Rewcastle、Graham J. Atwell、Brian D. Palmer、Peter D. W. Boyd、Bruce C. Baguley、William A. Denny

  DOI：10.1021/jm00106a003

  日期：1991.2

  molecular dipole moment lay out of the plane of the aromatic part of these molecules was found to be determined largely by the contributions from the acetic acid moiety relative to that from the tricyclic ring system. There did not appear to be any general relationship between the magnitude of the dipole moment and activity. However, for compounds containing the 9-carbonyl functionality, the orientation

  已经制备了一系列9-氧代-9H-氧杂蒽-4-乙酸的三环类似物，并评估了它们在小鼠皮下植入的结肠38肿瘤中引起出血性坏死的能力，以期扩展其结构-活性关系。这个系列。如先前在黄酮8-乙酸（FAA）的类似物中所发现的（Atwell等人，Anti-Cancer Drug Des。1989，4，161），XAA核的所有电子修饰均导致活性的严重降低或完全取消。 ，表明结构-活性关系狭窄。计算了许多化合物的偶极矩，发现分子偶极矩离开这些分子芳族部分平面的程度很大程度上取决于乙酸部分相对于乙酸部分的贡献。三环系统。偶极矩的大小与活动之间似乎没有任何一般的关系。但是，对于含有9-羰基官能团的化合物，偶极向量的方向可能很重要。在所有具有位于乙酸侧链周围的醚基的化合物中，该化合物与侧链OH之间存在接近的途径（约2.4 A）。
• Composition for rapid disintegrating tablet in oral cavity
  申请人：FUJI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1523974A1

  公开（公告）日：2005-04-20

  The present invention provides rapid disintegrating tablets in oral cavity having a shortened disintegration time in oral cavity as well as a sufficient hardness with compared to rapid disintegrating tablets of the prior art. The above objective is solved by a composition for rapid disintegrating tablets in oral cavity, wherein components (a) to (c) are contained in such manner that (a) saccharides consisting of a combination of mannitol and xylitol is 40 to 90 parts by weight; (b) the inorganic excipient is 1 to 30 parts by weight; and (c) the disintegrating agent is 5 to 40 parts by weight, provided that the total amount of (a), (b) and (c) is 100 parts by weight.

  本发明提供的口腔快速崩解片与现有技术的口腔快速崩解片相比，具有更短的口腔崩解时间和足够的硬度。 本发明通过一种口腔快速崩解片剂组合物来实现上述目标，其中组分（a）至（c）的含有方式为 (a) 糖类由甘露糖醇和木糖醇组合而成，按重量计占 40 至 90%； (b) 无机赋形剂按重量计为 1 至 30 份；以及 (c) 以重量計，崩解劑為 5 至 40 份、 条件是(a)、(b)和(c)的总用量以重量计为 100 份。
• TABLET QUICKLY DISINTEGRATING IN ORAL CAVITY
  申请人：FUJI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1674083A1

  公开（公告）日：2006-06-28

  The present invention provides rapid disintegrating tablets in oral cavity having a shortened disintegration time in oral cavity as well as a sufficient hardness compared to rapid disintegrating tablets of the prior art. The above objective is solved by a composition in which the inorganic excipient and the disintegrating agent are dispersed in the complex particles consisting of mannitol and other saccharide(s) in a specific ratio, and rapid disintegrating tablets in oral cavity obtained by direct compression of the composition.

  本发明提供的口腔快速崩解片与现有技术的口腔快速崩解片相比，具有更短的口腔崩解时间和足够的硬度。 解决上述问题的方法是将无机辅料和崩解剂按特定比例分散在由甘露醇和其他糖类组成的复合颗粒中，通过直接压缩该组合物获得口腔快速崩解片。
• Inamdar,A.R. et al., Journal of the Indian Chemical Society, 1967, vol. 44, # 5, p. 398 - 399
  作者：Inamdar,A.R. et al.

  DOI：——

  日期：——
• Syntheses of 1'-Methyl- and 4'-Methyl-1,2-benzanthracenes¹
  作者：MELVIN S. NEWMAN、SEI OTSUKA

  DOI：10.1021/jo01100a007

  日期：1958.6