1-fluoro-2,3,4-trimethylbenzene | 52547-99-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-fluoro-2,3,4-trimethylbenzene
• 英文别名: 4-Fluoro-1,2,3-trimethylbenzene；Trimethyl-fluor-benzol
• CAS: 52547-99-6
• 化学式: C₉H₁₁F
• 分子量: 138.185
• InChiKey: YDLFYFXTJGGZLU-UHFFFAOYSA-N

物化性质

• 沸点：
  181.4±9.0 °C(Predicted)
• 密度：
  0.969±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-fluoro-2,3,4-trimethylbenzene 在 二氟代氙 、 氢氟酸 作用下， 以 二氯甲烷 为溶剂， 生成 1,2-difluoro-3,4,5-trimethylbenzene
  参考文献：
  名称：

  Effect of catalyst on the fluorination of methyl-substituted benzenes with xenon difluoride

  摘要：

  DOI：

  10.1021/jo00161a017
• 作为产物：
  描述：

  三甲苯 在 二氟代氙 、 氢氟酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-fluoro-3,4,5-trimethylbenzene 、 1-fluoro-2,3,4-trimethylbenzene
  参考文献：
  名称：

  Effect of catalyst on the fluorination of methyl-substituted benzenes with xenon difluoride

  摘要：

  DOI：

  10.1021/jo00161a017

文献信息

• [EN] SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS<br/>[FR] PYRAZOLO[4,3-B]PYRIDINES SUBSTITUÉES ET LEUR UTILISATION EN TANT QUE MODULATEURS DU RÉCEPTEUR GLUN2B
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2020249791A1

  公开（公告）日：2020-12-17

  Substituted pyrazolo[4,3-b]pyridines as GluN2B receptor ligands. Such compounds may be used in GluN2B receptor modulation and in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by GluN2B receptor activity.

  取代的吡唑[4,3-b]吡啶作为GluN2B受体配体。这些化合物可用于GluN2B受体调节以及用于治疗由GluN2B受体活性介导的疾病状态、疾病和疾病的制药组合物和方法。
• Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents
  申请人：Iijima Toru

  公开号：US20090023716A1

  公开（公告）日：2009-01-22

  The present invention relates to a compound, useful as a mineralocorticoid receptor-modulating agent, of the following formula [I]: wherein Ring A is a benzene ring optionally having a substituent(s) other than R 1 etc, R 1 is a group of the formula: R a SO 2 NH— etc, R a is an alkyl group etc, R 2 and R 3 are each a hydrogen atom, a phenyl group, an optionally substituted alkyl group etc, X is an oxygen atom etc, Y is a group of the formula: —C(═O)— etc, Ar is an optionally substituted aryl group or an optionally substituted heteroaryl group, Q is a single bond, an alkylene group etc, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种化合物，可用作矿物质皮质激素受体调节剂，其化学式如下[I]：其中，环A是苯环，可选地具有除R1等之外的取代基；R1是公式RaSO2NH-等的基团；R是烷基等；R2和R3分别是氢原子，苯基，可选地取代的烷基等；X是氧原子等；Y是公式-C（=O）-等的基团；Ar是可选地取代的芳基或可选地取代的杂环基；Q是单键，烷基等，或其药学上可接受的盐。
• BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS
  申请人：IIJIMA Toru

  公开号：US20110251185A1

  公开（公告）日：2011-10-13

  The present invention relates to a compound, useful as a mineralocorticoid receptor-modulating agent, of the following formula [I]: wherein Ring A is a benzene ring optionally having a substituent(s) other than R 1 etc, R 1 is a group of the formula: R a SO 2 NH— etc, R a is an alkyl group etc, R 2 and R 3 are each a hydrogen atom, a phenyl group, an optionally substituted alkyl group etc, X is an oxygen atom etc, Y is a group of the formula: —C(═O)— etc, Ar is an optionally substituted aryl group or an optionally substituted heteroaryl group, Q is a single bond, an alkylene group etc, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种化合物，其具有以下式[I]，可用作矿物质皮质激素受体调节剂： 其中，环A是苯环，可选择具有取代基(R1等)以外的取代基；R1是公式RaSO2NH-等的基团；R是烷基等；R2和R3分别是氢原子、苯基、可选择取代的烷基等；X是氧原子等；Y是公式-C(═O)-等的基团；Ar是可选择取代的芳基或可选择取代的杂环基；Q是单键、烷基等；或其药学上可接受的盐。
• COMPOUNDS FOR THE TREATMENT OF ADDICTION
  申请人：Gilead Sciences, Inc.

  公开号：US20140051668A1

  公开（公告）日：2014-02-20

  Disclosed are novel compounds having the structure of Formula (I): which are useful for treating mammals for dependence upon substances of addiction, for example addiction to a dopamine-producing agent such as cocaine, morphine, amphetamines, nicotine, and/or alcohol. Also disclosed are pharmaceutical compositions comprising a therapeutically effective amount of a compound of Formula (I) and methods of using the compounds of Formula (I) in the treatment of addiction to a dopamine-producing agent.

  本发明涉及具有以下式（I）结构的新化合物，其用于治疗哺乳动物对成瘾物质的依赖，例如对多巴胺生成剂如可卡因、吗啡、安非他命、尼古丁和/或酒精成瘾。本发明还涉及包含式（I）化合物的治疗有效量的药物组合物以及使用式（I）化合物治疗对多巴胺生成剂成瘾的方法。
• PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE
  申请人：Chakravarty Sarvajit

  公开号：US20130172320A1

  公开（公告）日：2013-07-04

  This disclosure is directed to pyrido[4,3-b]indole and pyrido[3,4-b]indole derivatives. Pharmaceutical compositions comprising the compounds are also provided, as are methods of using the compounds in a variety of therapeutic applications, including the treatment of a cognitive disorder, psychotic disorder, neurotransmitter-mediated disorder and/or a neuronal disorder.

  本公开涉及吡啶并[4,3-b]吲哚和吡啶并[3,4-b]吲哚衍生物。本公开还提供了包含该化合物的制药组合物，以及使用该化合物治疗各种治疗应用的方法，包括治疗认知障碍、精神障碍、神经递质介导的障碍和/或神经元障碍。