N-cyclohexyl-3-trifluoromethylaniline | 949161-12-0

• 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: N-cyclohexyl-3-trifluoromethylaniline
• 英文别名: N-cyclohexyl-3-(trifluoromethyl)aniline
• CAS: 949161-12-0
• 化学式: C₁₃H₁₆F₃N
• mdl: MFCD11117020
• 分子量: 243.272
• InChiKey: WSBHTBQLKSLILD-UHFFFAOYSA-N

物化性质

• 沸点：
  303.9±42.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  环己胺 、 3-(三氟甲基)苯硼酸 在 potassium carbonate 作用下， 以 水 为溶剂， 反应 5.0h， 以92%的产率得到N-cyclohexyl-3-trifluoromethylaniline
  参考文献：
  名称：

  Facile synthesis of Fe@Pd nanowires and their catalytic activity in ligand-free CN bond formation in water

  摘要：

  This work reports a facile synthesis of Fe@Pd nanowires. Ligand-free cross coupling reactions of arylboronic acids with various amines in aqueous medium proceed in very good to excellent yield with the use of Fe@Pd nanowires. Furthermore, the catalyst could be easily separated from the reaction mixture using a magnet and could be recycled several times without loss of catalytic activity. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.066

文献信息

• Carbene adduct of cyclopalladated ferrocenylimine as an efficient catalyst for the amination of aryl chlorides
  作者：Jingya Li、Mengjun Cui、Ajuan Yu、Yangjie Wu

  DOI：10.1016/j.jorganchem.2007.05.022

  日期：2007.8

  A novel air- and moisture-stable carbene adduct of cyclopalladated ferrocenylimine has been synthesized and characterized. The structure of this compound was determined by X-ray crystal structure analysis. This adduct has been applied as an efficient catalyst for the amination of aryl chlorides.

  合成并表征了一种新型的对空气和水分稳定的环palpalated二茂铁亚胺卡宾加合物。通过X射线晶体结构分析确定该化合物的结构。该加合物已被用作胺化芳基氯的有效催化剂。
• <scp>d</scp>-Glucose: An Efficient Reducing Agent for a Copper(II)-Mediated Arylation of Primary Amines in Water
  作者：Maud Bollenbach、Patrick Wagner、Pedro G. V. Aquino、Jean-Jacques Bourguignon、Frédéric Bihel、Christophe Salomé、Martine Schmitt

  DOI：10.1002/cssc.201600801

  日期：2016.11.23

  A copper‐catalyzed Ullmann‐type amination with primary amines in water with a combination of copper(II) triflate [Cu(OTf)2], dipivaloylmethane, and d‐glucose is reported. The mild conditions and the use of an inexpensive catalyst as well as a renewable feedstock (d‐glucose and the surfactant TPGS‐750‐M, which is derived from vitamin E) make this protocol a safe and convenient strategy for efficient

  据报道，在水中，伯胺与三氟甲磺酸铜（II）[Cu（OTf）2 ]，双戊酰甲烷和d-葡萄糖结合使用，可在铜催化的Ullmann型胺化反应中发挥作用。温和的条件以及使用廉价的催化剂以及可再生原料（衍生自维生素E的d-葡萄糖和表面活性剂TPGS-750-M）使该协议成为实现有效C-N键合的安全便捷策略编队。与基于钯的反应相比，这种易于操作的方法极具竞争力，可用于合成含N的分子，例如药物或有机发光二极管（OLED）。
• KINASE INHIBITORS
  申请人：Genosco

  公开号：EP2493313A1

  公开（公告）日：2012-09-05
• INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF
  申请人：Whitehead Institute for Biomedical Research

  公开号：US20180105508A1

  公开（公告）日：2018-04-19

  The present invention provides compounds pounds of Formula (II), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, pro-drugs, and compositions thereof. Also provided are methods and kits involving the compounds of Formula (I), (II) or (III) for treating diseases associated with the over-expression of phosphoglycerate dehydrogenase (PHGDH) in a subject, such as proliferative diseases (e.g., cancers (e.g., breast cancer, ER negative breast cancer, melanoma, cervical cancer), benign neoplasms, diseases associated with angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases). Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the activity of PHGDH or inhibit the serine biosynthetic pathway, or both.
• Facile synthesis of Fe@Pd nanowires and their catalytic activity in ligand-free CN bond formation in water
  作者：Mahmoud Nasrollahzadeh、Abbas Azarian、Ali Ehsani、Ali Zahraei

  DOI：10.1016/j.tetlet.2014.03.066

  日期：2014.4

  This work reports a facile synthesis of Fe@Pd nanowires. Ligand-free cross coupling reactions of arylboronic acids with various amines in aqueous medium proceed in very good to excellent yield with the use of Fe@Pd nanowires. Furthermore, the catalyst could be easily separated from the reaction mixture using a magnet and could be recycled several times without loss of catalytic activity. (C) 2014 Elsevier Ltd. All rights reserved.