3-(4-methoxyphenoxy)benzonitrile | 1292836-25-9

• 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: 3-(4-methoxyphenoxy)benzonitrile
• 英文别名: 3-(4-Methoxyphenoxy)benzonitrile
• CAS: 1292836-25-9
• 化学式: C₁₄H₁₁NO₂
• 分子量: 225.247
• InChiKey: SXKKKMADITVLIS-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：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  间溴苯甲腈 、 4-甲氧基苯酚 在 silver hexafluoroantimonate 、 Rh(cod)(iPr₂-bimy)Br 、 caesium carbonate 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以77%的产率得到3-(4-methoxyphenoxy)benzonitrile
  参考文献：
  名称：

  Rhodium(NHC)-Catalyzed O-Arylation of Aryl Bromides

  摘要：

  The first example of the rhodium-catalyzed O-arylation of aryl bromides is reported. While the right combination of rhodium species and N-heterocyclic carbene (NHC) offered an effective catalytic system enabling the arylation to proceed, the choice of NHC was determined to be most important. The developed O-arylation protocol has a wide range of substrate scope, high functional group tolerance, and flexibility allowing a complementary route to either N- or O-arylation depending on the choice of NHC.

  DOI：

  10.1021/ol200603c

文献信息

• Amino Acid Promoted Ullmann Type Reaction with Low Catalyst Loading via Microwave Technology
  作者：K. Uma Maheshwar Reddy、K. Santosh Kumar、A. Panasa Reddy

  DOI：10.14233/ajchem.2014.16194

  日期：——

  This work describes CuBr-catalyzed cross-coupling of sterically hindered phenols with substituted aryl halides and hetero aryl halides under microwave conditions using commercially available amino acids as the reaction promoters and K3PO4 as the base. This protocol shown to tolerate sensitive functional groups like CN, CHO etc., Especially, in case of 3-bromopyridine coupling with substituted phenols supported this letter in track record of the reactivity.

  这项工作描述了在微波条件下，使用市售氨基酸作为反应促进剂，以K3PO4为碱，通过CuBr催化的空间位阻酚与取代芳基卤化物和杂芳基卤化物的交叉耦合反应。该方案被证明能容忍敏感的功能团，如CN、CHO等。特别是，3-溴吡啶与取代酚的耦合反应证实了这种反应性的记录。
• Hepatitis B core protein modulators
  申请人：Assembly Biosciences, Inc.

  公开号：US10766890B2

  公开（公告）日：2020-09-08

  The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound.

  本公开内容部分提供了对乙型肝炎病毒 Cp 具有异生效应特性的化合物。本文还提供了治疗病毒感染（如乙型肝炎）的方法，包括向有需要的患者施用所公开的化合物。
• HEPATITIS B CORE PROTEIN MODULATORS
  申请人：Assembly Biosciences, Inc.

  公开号：EP3349581B1

  公开（公告）日：2021-12-01
• [EN] HEPATITIS B CORE PROTEIN MODULATORS<br/>[FR] MODULATEURS DES PROTÉINES DU NOYAU DE L'HÉPATITE B
  申请人：ASSEMBLY BIOSCIENCES INC

  公开号：WO2017048962A1

  公开（公告）日：2017-03-23

  The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound.