2,7-dimethylnaphthazarin | 667-96-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,7-dimethylnaphthazarin
• 英文别名: 5,8-Dihydroxy-2,7-dimethylnaphthalene-1,4-dione；5,8-dihydroxy-2,7-dimethylnaphthalene-1,4-dione
• CAS: 667-96-9
• 化学式: C₁₂H₁₀O₄
• 分子量: 218.209
• InChiKey: XDYVXNBHXJGNGT-UHFFFAOYSA-N

物化性质

• 沸点：
  502.7±50.0 °C(Predicted)
• 密度：
  1.419±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 三氯化铝 、 sodium chloride 作用下， 生成 2,7-dimethylnaphthazarin
  参考文献：
  名称：

  一些双取代萘甲素的合成

  摘要：

  通过环化相应的 β-(2,5-二甲氧基苯甲酰基)-丙烯酸，已经合成了一些 2,6- 和 2,7- 二取代的萘并素。除了一个例外，已确定不会发生异构化，因此该方法为这些萘扎林的结构提供了明确的证据。相反，该程序用于确定两个 β-(2,5-二甲氧基苯甲酰基)-氯丙烯酸中氯原子的位置。

  DOI：

  10.1139/v67-012

文献信息

• [EN] PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE KINASE
  申请人：XAVIER UNIV OF LOUISIANA

  公开号：WO2020076905A1

  公开（公告）日：2020-04-16

  The present disclosure relates to compounds that act as protein kinase inhibitors, and the synthesis of the same. Further, the present disclosure teaches the utilization of such compounds in a treatment for proliferative diseases, including cancer, particularly breast cancer, and especially ER+ and/or HER2+ breast cancer.

  本公开涉及作为蛋白激酶抑制剂的化合物，以及其合成。此外，本公开教导了利用这些化合物治疗增殖性疾病，包括癌症，特别是乳腺癌，尤其是ER+和/或HER2+乳腺癌。
• NMR studies of intramolecular proton exchange in alkylated naphthazarins
  作者：Gülnur A. Elöve、J. Herman Schauble

  DOI：10.1002/mrc.1260250303

  日期：1987.3

  Three groups of alkyl‐substituted naphthazarins were studied by 1H and 13C NMR in chloroform‐d at ambient temperature. Preliminary 1H NMR studies were carried out on selected members of each group at low temperatures (down to –120 °C) in dichloromethane‐d2 solution. Monoalkylnaphthazarins were found to exist predominantly as the 2‐alkyl tautomers (I) and the dimethylalkyl species as the 2,3‐dimethyl‐6‐alkyl

  在环境温度下，在氯仿-d 中通过 1H 和 13C NMR 研究了三组烷基取代的萘萨林。在低温（低至 –120 °C）下，在二氯甲烷-d2 溶液中对每组的选定成员进行了初步 1H NMR 研究。发现单烷基萘甲素主要以 2-烷基互变异构体 (I) 的形式存在，二甲基烷基以 2,3-二甲基-6-烷基互变异构体 (I) 的形式存在。然而，对称和非对称取代的 2,6- 和 2,7-二烷基萘并林表现出平均化学位移和耦合常数，表明两种最低能量 1,4-二酮互变异构体（I 和 II）之间的快速质子交换。13C NMR 位移用于计算不对称 2,6- 和 2,7-（甲基，烷基）萘并芴素的互变异构体群。
• The influence of surface and interstitial moisture on the spectral characteristics of intertidal sediments: Implications for airborne image acquisition and processing
  作者：M. P. Rainey、A. N. Tyler、R. G. Bryant、D. J. Gilvear、P. McDonald

  DOI：10.1080/01431160050144938

  日期：2000.1

  Intertidal sediment distribution is an important factor in the understanding of estuarine ecological, morphological and pollution processes. Airborne remote sensing is identified as a cost-effective tool that may be used to provide accurate synoptic maps of estuarine sediment distributions. However, prior to the collection and analysis of airborne imagery, spectral characterization of intertidal sediments is fundamental. Through a series of in situ and laboratory reflectance (0.35-2.5 mu m) experiments the spectral complexity of the Ribble Estuary, UK, intertidal sediments has been investigated. Positive relationships between Daedalus Airborne Thematic Mapper band 9 and band 10 simulated reflectance and percentage sand of intertidal sediments have been identified in the field (r(2) = 0.51 and r(2) = 0.61).These associations are sensitive to the interstitial and surface moisture conditions of the intertidal environment and, consequently, temporally unstable. Laboratory experiments demonstrated that interstitial moisture influences the spectral contrast between sediments of contrasting grain size, consequently determining the ability to map sediment domains through remote sensing. As a result, it is recommended that airborne imagery be collected of intertidal areas after a prolonged period of exposure to summer drying conditions. This ensures that the spectral influence of moisture is minimized and the spectral contrast between sediments of different grain size is maximized.