(4-溴-2-氟苯基)乙酸 | 76149-14-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: (4-溴-2-氟苯基)乙酸
• 英文名称: 3,4-dihydroxy-iodobenzene
• 英文别名: 4-iodobenzene-1,2-diol；4-iodo-2-hydroxyphenol；4-iodo-pyrocatechol；4-Jod-brenzcatechin；4-Jod-1.2-dihydroxy-benzol；4-iodo-1,2-benzenediol
• CAS: 76149-14-9
• 化学式: C₆H₅IO₂
• 分子量: 236.009
• InChiKey: GEQUYGQAOAAGGO-UHFFFAOYSA-N

物化性质

• 熔点：
  92°C
• 密度：
  1.9169 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2908199090

反应信息

• 作为反应物：
  描述：

  (4-溴-2-氟苯基)乙酸 生成 1,2-bis-benzoyloxy-4-iodo-benzene
  参考文献：
  名称：

  Azouz et al., Biochemical Journal, 1953, vol. 55, p. 146,149

  摘要：

  DOI：
• 作为产物：
  描述：

  4-amino-1,2-benzenediol diacetate 在 盐酸 、 potassium iodide 作用下， 生成 (4-溴-2-氟苯基)乙酸
  参考文献：
  名称：

  Geostatistical analysis of soil chemical properties and rice yield in a paddy field and application to the analysis of yield-determining factors

  摘要：

  To obtain basic information for rational site-specific soil management for rice production, spatial variability of soil chemical properties: and grain yield of rice was evaluated in a 50 m X 100 m paddy field. One hundred surface soil samples were collected from each of the 5 m X 10 m plots before puddling to investigate the spatial variability of their chemical properties: pH, EC, total C content, total N content, C/N ratio, contents of mineralizable N, inorganic N, available P, exchangeable Ca, Mg, K, and Na. Grain yield was also measured at harvest for the corresponding 100 plots. Geostatistical analysis was carried out to examine their within-field spatial variability using semivariograms, and multivariate analysis was also; carried out to evaluate yield-determining factors. Geostatistical analysis of the soil properties indicated a high to moderate spatial dependence for all the properties except for the inorganic N content. The ranges of spatial dependence were about 20-30 m for the pH, EC, total C content, total N content, content of exchangeable Na, about 40 m for the contents of available P, mineralizable N, exchangeable Ca and Mg, and about 50-60 m for the C/N ratio and content of exchangeable K. Grain yield showed a moderate spatial dependence with a range of about 50 m. The results of spatial dependence enabled to prepare kriged maps of the soil properties and yield to compare their spatial distribution in the held. Multivariate analysis further showed, in combination with geostatistics that the soil chemical properties contributed significantly to the yield as yield-determining factors and explained as much as 65% of the spatially structured or non-random variation of the yield. In conclusion, the possible benefit of site-specific soil management or precision agriculture was demonstrated even in an almost hat paddy field.

  DOI：

  10.1080/00380768.2001.10408393

文献信息

• [EN] BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS<br/>[FR] PYRIDINES BICYCLIQUES ET ANALOGUES EN TANT QUE MODULATEURS DE LA SIRTUINE
  申请人：SIRTRIS PHARMACEUTICALS INC

  公开号：WO2011059839A1

  公开（公告）日：2011-05-19

  Provided herein are novel sirtuin-modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本文提供了新颖的调节sirtuin的化合物及其使用方法。这些调节sirtuin的化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和紊乱，包括与老化或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块紊乱、炎症、癌症和/或潮红有关的疾病或紊乱，以及那些受益于增加线粒体活性的疾病或紊乱。还提供了包含调节sirtuin化合物与另一治疗剂组合的组合物。
• Synthesis of α-Trifluoromethylacrylates by Ligand-Free Palladium-Catalyzed Mizoroki-Heck Reaction
  作者：Pan Xiao、Claire Schlinquer、Xavier Pannecoucke、Jean-Philippe Bouillon、Samuel Couve-Bonnaire

  DOI：10.1021/acs.joc.8b03085

  日期：2019.2.15

  Efficient ligand-free palladium catalyzed Mizoroki–Heck reaction allowed the formation of trisubstituted α-trifluoromethylacrylates. The reaction showed good chemical tolerance and furnished moderate to excellent yields of reaction. Silver salt additive proved to be essential for the reaction. The reaction has been then applied to the formation of 3-trifluoromethyl coumarins and analogues of therapeutic

  高效的无配体钯催化的Mizoroki-Heck反应可形成三取代的α-三氟甲基丙烯酸酯。该反应显示出良好的化学耐受性，并提供中等至优异的反应产率。银盐添加剂被证明是该反应必不可少的。然后将该反应用于形成3-三氟甲基香豆素和治疗剂类似物。
• [EN] DOPAMINE D2 RECEPTOR LIGANDS<br/>[FR] LIGANDS DES RÉCEPTEURS DOPAMINERGIQUES D2
  申请人：BROAD INST INC

  公开号：WO2016100940A1

  公开（公告）日：2016-06-23

  The present invention relates to novel dopamine D2 receptor ligands. The invention further relates to functionally-biased dopamine D2 receptor ligands and the use of these compounds for treating or preventing central nervous system and systemic disorders associated with dysregulation of dopaminergic activity. The present invention relates to novel compounds that modulate dopamine D2 receptors. In particular, compounds of the present invention show functional selectivity at the dopamine D2 receptors and exhibit selectivity downstream of the D2 receptors, on the 0- arrestin pathway and/or on the cAMP pathway.

  本发明涉及新型多巴胺D2受体配体。该发明进一步涉及功能偏向的多巴胺D2受体配体以及利用这些化合物治疗或预防与多巴胺活性失调相关的中枢神经系统和全身性疾病。本发明涉及调节多巴胺D2受体的新型化合物。具体而言，本发明的化合物在多巴胺D2受体上显示功能选择性，并在D2受体下游、0-阿雷斯汀途径和/或cAMP途径上表现出选择性。
• [EN] C-MET PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTÉINE KINASE C-MET
  申请人：VERTEX PHARMA

  公开号：WO2010048131A1

  公开（公告）日：2010-04-29

  The present invention relates to compounds of formula (I) useful in the inhibition of c- Met protein kinase. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of proliferative disorders.

  本发明涉及一种公式（I）的化合物，用于抑制c-Met蛋白激酶。该发明还提供了包括该发明化合物的药学上可接受的组合物，以及在治疗增殖性疾病中使用这些组合物的方法。
• A Green Reagent for the Iodination of Phenols
  作者：Takeo Konakahara、Y. Kiran、Norio Sakai

  DOI：10.1055/s-2008-1078598

  日期：2008.8

  A new reagent (I2/NaNO2) for the iodination of the aromatic ring of phenols has been discovered. The reaction proceeds at room temperature in 1.5-6 hours. In the presence of this reagent, iodinated compounds are regioselectively formed in significant yields from the corresponding substrates.

  一种用于酚类芳环碘化的新试剂（I2/NaNO2）已被发现。该反应在室温下进行，耗时1.5至6小时。在存在这一试剂的情况下，从相应底物中选择性地形成碘化产物，且产率显著。