4-[(4-硝基苯基)甲基]苯酚 | 21969-07-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-[(4-硝基苯基)甲基]苯酚
• 英文名称: 4-(4-nitrobenzyl)phenol
• 英文别名: 4-hydroxy-1-(4-nitrobenzyl)benzene；4'-Nitro-4-hydroxy-diphenylmethan；4-Nitro-4'-hydroxy-diphenylmethan；4-Hydroxy-4'-nitrodiphenylmethan；4-[(4-nitrophenyl)methyl]phenol
• CAS: 21969-07-3
• 化学式: C₁₃H₁₁NO₃
• 分子量: 229.235
• InChiKey: LFZQCJLFQTXGKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[(4-硝基苯基)甲基]苯酚 在 caesium carbonate 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 2-(4-(4-nitrobenzyl)phenoxy)acetic acid
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of Thyronamine Analogues as Novel Potent Mouse Trace Amine Associated Receptor 1 (mTAAR1) Agonists

  摘要：

  Trace amine associated receptor 1 (TAAR1) is a G protein coupled receptor (GPCR) expressed in brain and periphery activated by a wide spectrum of agonists that include, but are not limited to, trace amines (TAs), amphetamine-like psychostimulants, and endogenous thyronamines such as thyronamine (T0AM) and 3-iodothyronamine (T1AM). Such polypharmacology has made it challenging to understand the role and the biology of TAAR1. In an effort to understand the molecular basis of TAAR1 activation, we rationally designed and synthesized a small family of thyronamine derivatives. Among them, compounds 2 and 3 appeared to be a good mimic of the parent endogenous thyronamine, T0AM and T1AM, respectively, both in vitro and in vivo. Thus, these compounds offer suitable tools for studying the physiological roles of mouse TAAR1 and could represent the starting point for the development of more potent and selective TAAR1 ligands.

  DOI：

  10.1021/acs.jmedchem.5b00526
• 作为产物：
  描述：

  对硝基溴化苄 在 三溴化硼 、 potassium carbonate 、 palladium dichloride 作用下， 以 二氯甲烷 、 水 、 丙酮 为溶剂， 生成 4-[(4-硝基苯基)甲基]苯酚
  参考文献：
  名称：

  [EN] SYNTHETIC ANALOGUES OF 3-IODOTHYRONAMINE (T1AM) AND USES THEREOF
  [FR] ANALOGUES SYNTHÉTIQUES DE 3-IODOTHYRONAMINE (TIAM) ET UTILISATIONS DESDITS ANALOGUES

  摘要：

  描述了公式（I）的新型合成类似物3-碘甲状腺胺，以及含有该类似物的药物组合物和其医学用途。

  公开号：

  WO2015151068A1

文献信息

• [EN] GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF<br/>[FR] INHIBITEURS DE LA NADPH OXYDASE ET LEUR UTILISATION
  申请人：ORFAN BIOTECH INC

  公开号：WO2019133813A1

  公开（公告）日：2019-07-04

  The present invention provides pyrazoles, isoxazoles, isothiazoles, thiadiazoles, and pyridazines according to Formula I as described herein, and pharmaceutically acceptable salts thereof. Pharmaceutical compositions and methods for treating primary hyperoxaluria, type I (PH) and kidney stones are also described.

  本发明提供了根据以下公式描述的吡唑，异噁唑，异噻唑，噻二唑和吡啶并其药用可接受盐。还描述了用于治疗一型原发性高草酸尿症（PH）和肾结石的药物组合物和方法。
• [EN] SYNTHETIC ANALOGUES OF 3-IODOTHYRONAMINE (T1AM) AND USES THEREOF<br/>[FR] ANALOGUES SYNTHÉTIQUES DE 3-IODOTHYRONAMINE (TIAM) ET UTILISATIONS DESDITS ANALOGUES
  申请人：UNIV PISA

  公开号：WO2015151068A1

  公开（公告）日：2015-10-08

  Novel synthetic analogues of 3-iodothyronamine of formula (I), pharmaceutical compositions containing the same, and medical uses thereof are described.

  描述了公式（I）的新型合成类似物3-碘甲状腺胺，以及含有该类似物的药物组合物和其医学用途。
• Novel .beta.-D-phenylthioxylosides, their method of preparation and
  申请人：Fournier Innovation et Synergie

  公开号：US04877808A1

  公开（公告）日：1989-10-31

  The present invention relates, by way of novel industrial products, to osides selected from the group consisting of: (i) the .beta.-D-phenylthioxylosides of the formula: ##STR1## in which: R represents a hydrogen atom, a halogen atom, a nitro group or a cyano group, A represents the sulfur atom or the oxygen atom, B represents a CH.sub.2, CHOH or CO group and Y represents the hydrogen atom or an acyl group; and (ii) epimers thereof when B is CHOH. These products are useful in therapy as antithrombotics.

  本发明涉及一种新型工业产品，选自以下羟苷类物质组中的一种：（i）式子为：##STR1## 的β-D-苯硫氧木糖苷，其中：R代表氢原子、卤素原子、硝基或氰基，A代表硫原子或氧原子，B代表CH.sub.2、CHOH或CO基团，Y代表氢原子或酰基；以及（ii）当B为CHOH时的对映体。这些产品在治疗中作为抗血栓剂非常有用。
• Accessing <i>para</i>-Alkylphenols via Iridium-Catalyzed Site-Specific Deoxygenation of Alcohols
  作者：Jing Wang、Tingting Wang、Hongguang Du、Ning Chen、Jiaxi Xu、Zhanhui Yang

  DOI：10.1021/acs.joc.3c01294

  日期：2023.9.1

  An iridium-catalyzed and phenol-directed deoxygenation of benzylic alcohols comes as an alternative access to 4-alkylphenols, featuring low catalyst loading (S/C up to 20,000, TOF up to 12,400 h–1), high functionality compatibility, and excellent site-selectivity. The applications in late-stage modification of steroids and gram-scale total synthesis of a Gastrodia elata extract are highlighted. Mechanistically

  铱催化和苯酚引导的苄醇脱氧是制备 4-烷基苯酚的替代方案，具有催化剂负载量低（S / C高达 20,000，TOF 高达 12,400 h –1）、高功能兼容性和优异的现场性等特点-选择性。重点介绍了天麻提取物在类固醇后期修饰和克级全合成中的应用。从机理上讲，醌甲基化物的中间作用控制了位点选择性，氢化铱的形成作为限速步骤。
• Preparation process of fluorine subsituted aromatic compound
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1013629A1

  公开（公告）日：2000-06-28

  A preparation process of a fluorine substituted aromatic compound comprising reacting an alkali metal or alkali earth metal salt of an aromatic compound having a hydroxy group with an organic fluorinating agent is disclosed. As a representative fluorinating agent, a bis-dialkylaminodifluoromethane compound, for example, 2,2'-difluoro-1,3-dimethylimidazolidine, is exemplified. According to the process, an industrially useful fluorinated aromatic compound, for example, a fluorobenzene, a fluorine substituted benzophenone, a fluorine substituted diarylsulfone can be prepared with ease in economy without specific equipment.

  本发明公开了一种氟取代芳香族化合物的制备工艺，该工艺包括使具有羟基的芳香族化合物的碱金属盐或碱土金属盐与有机氟化剂反应。作为氟化剂的代表，举例说明了一种双二烷基氨基二氟甲烷化合物，例如 2,2'-二氟-1,3-二甲基咪唑烷。 根据该工艺，工业上有用的氟化芳烃化合物，例如氟苯、氟取代的二苯甲酮、氟取代的二元砜，无需特定设备即可轻松制备，经济实惠。