sodium 4-trifluoromethylphenoxide | 35471-34-2

• 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: sodium 4-trifluoromethylphenoxide
• 英文别名: trifluoro-p-cresol sodium salt；sodium salt of p-trifluoromethylphenol；sodium 4-(trifluoromethyl)phenoxide；sodium;4-(trifluoromethyl)phenolate
• CAS: 35471-34-2
• 化学式: C₇H₄F₃O*Na
• 分子量: 184.093
• InChiKey: LOJLSBGSIXQXKZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.22
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium 4-trifluoromethylphenoxide 、 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Human β3-adrenergic receptor agonists containing 1,2,3-triazole-substituted benzenesulfonamides

  摘要：

  Compounds containing a 1,2,3-triazole-substituted benzenesulfonamide were prepared and found to be potent and selective human beta(3)-adrenergic receptor agonists. The most interesting compound, trifluoromethylbenzyl analogue 12e (beta(3) EC50 = 3.1 nM with >1500-fold selectivity over binding to both beta(1)- and beta(2) receptors), stimulates lipolysis in the rhesus monkey (ED50 = 0.36 mg/kg) and is 25% orally bioavailable in the dog. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00422-4
• 作为产物：
  描述：

  对三氟甲基苯酚 、 sodium hydride 以 四氢呋喃 为溶剂， 生成 sodium 4-trifluoromethylphenoxide
  参考文献：
  名称：

  WO2008/8041

  摘要：

  公开号：

文献信息

• Pharmaceutical for treatment of neurological and neuropsychiatric disorders
  申请人：Allelix Neuroscience Inc.

  公开号：US06191165B1

  公开（公告）日：2001-02-20

  The invention provides a pharmaceutical for treatment of neurological and neuropsychiatric disorders comprising a compound of the formula: or a pharmaceutically acceptable salt thereof.

  该发明提供了一种用于治疗神经系统和神经精神疾病的药物，包括以下化合物或其药用盐。
• The First Linear Multiphosphazene Having Five Different Types of Side Groups and Its Use as the Core of a Dendrimeric Species
  作者：Germinal Magro、Bruno Donnadieu、Anne-Marie Caminade、Jean-Pierre Majoral

  DOI：10.1002/chem.200204630

  日期：2003.5.23

  synthesis of the first oligophosphazenes having more than two types of side functions is described. These multifunctionalized oligophosphazenes possess up to four phosphazene linkages and up to four types of functional side groups. These compounds may serve as models for a better understanding of electronic delocalization phenomena in linear inorganic chains, and constitute novel cores for the synthesis

  描述了具有两种以上副功能的第一低聚磷腈的逐步合成。这些多官能的低聚磷腈具有最多四个磷腈键和最多四种类型的官能侧基。这些化合物可作为模型，以更好地理解线性无机链中的电子离域现象，并构成新的核心，用于合成新的树枝状分子，该树枝状分子在端基上和分支内具有几种作为端基的功能。
• Brook/Elimination/Aldol Reaction Sequence for the Direct One-Pot Preparation of Difluorinated Aldols from (Trifluoromethyl)trimethylsilane and Acylsilanes
  作者：Mélanie Decostanzi、Jérémy Godemert、Sylvain Oudeyer、Vincent Levacher、Jean-Marc Campagne、Eric Leclerc

  DOI：10.1002/adsc.201500849

  日期：2016.2.18

  difluorinated aldols directly from Ruppert–Prakash reagent, acyltrimethylsilanes and aldehydes is reported. The process, initiated by a catalytic amount of an ammonium salt, involves the addition of (trifluoromethyl)trimethylsilane to the acylsilane, followed by a Brook rearrangement and elimination of a fluoride anion that promotes the subsequent aldol reaction. An efficient racemic reaction catalyzed

  据报道，有一种方法可以直接从Ruppert-Prakash试剂，酰基三甲基硅烷和醛一锅制备二氟羟醛。该过程由催化量的铵盐引发，涉及在酰基硅烷中添加（三氟甲基）三甲基硅烷，然后进行布鲁克重排，并消除促进后续羟醛反应的氟阴离子。描述了由四丁基三氟三苯基硅酸铵催化的高效外消旋反应，以及我们对不对称形式的首次尝试。
• Regio- and Enantioselective Iridium-Catalyzed Intermolecular Allylic Etherification of Achiral Allylic Carbonates with Phenoxides
  作者：Fernando López、Toshimichi Ohmura、John F. Hartwig

  DOI：10.1021/ja029790y

  日期：2003.3.1

  An enantioselective and regioselective iridium-catalyzed allylic etherification is described. The reaction of sodium and lithium aryloxides with achiral (E)-cinnamyl and terminal aliphatic allylic electrophiles in the presence of 2 mol % of an iridium-phosphoramidite complex provides chiral allylic aryl ethers in high yields and excellent levels of regio- and enantioselectivity. Lithium aryloxides

  描述了对映选择性和区域选择性铱催化的烯丙基醚化。钠和锂芳基氧化物与非手性 (E)-肉桂基和末端脂肪族烯丙基亲电试剂在 2 mol% 的铱-亚磷酰胺络合物存在下反应，以高产率和出色的区域和对映选择性提供手性烯丙基芳基醚。在邻位、间位或对位包含单个取代基的芳基氧化锂以及位阻酚盐是可以接受的。THF 中的反应显示出最合适的速率、区域和对映选择性平衡。也观察到来自烷基 (E)-烯丙基碳酸酯反应的产物的高 ee。
• Aryloxyphenylpropylamines
  申请人：Eli Lilly and Company

  公开号：US04313896A1

  公开（公告）日：1982-02-02

  3-Aryloxy-3-phenylpropylamines and acid addition salts thereof, useful as psychotropic agents, particularly as anti-depressants.

  3-芳氧基-3-苯基丙胺及其酸盐加成物，可作为精神药物，特别是抗抑郁剂。