(2-(difluoromethoxy)ethyl)benzene | 1191279-56-7

• 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: (2-(difluoromethoxy)ethyl)benzene
• 英文别名: 2-(Difluoromethoxy)ethylbenzene
• CAS: 1191279-56-7
• 化学式: C₉H₁₀F₂O
• 分子量: 172.175
• InChiKey: OBKHGLDNQOBLEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (2-(dichloromethoxy)ethyl)benzene 在 triethylamine tris(hydrogen fluoride) 作用下， 以46%的产率得到(2-(difluoromethoxy)ethyl)benzene
  参考文献：
  名称：

  用于从苯酚和醇的芳族和脂族二氟甲基醚的使用氯/氟交换方法制备三步法

  摘要：

  二氟甲基醚是由苯酚通过它们各自的甲酸酯衍生物分三步制备的。的甲酸盐首先通过用五氯化磷转化为二氯甲基醚。然后，这些醚是诱导经历氯/氟交换，以形成相应的二氟甲基醚。氯/氟交换由或室温，用THF-5HF或Et溶剂化过程中进行3的N- 3HF作为交换介质，其中HF是氟的最终来源，或者通过在环丁砜在125℃，其中KF是氟源的直接位移过程。由一个或另一个这些过程中，几乎所有的酚和电子差富电子，可以在良好的收益率转化为各自的二氟甲基醚。脂族醇也能够被转换为使用的Et它们二氟甲基醚衍生物3的N- 3HF交换介质。

  DOI：

  10.1016/j.jfluchem.2014.01.018

文献信息

• Difluoromethylation of alcohols with TMSCF2Br in water: A new insight into the generation and reactions of difluorocarbene in a two-phase system
  作者：Rongyi Zhang、Chuanfa Ni、Qiqiang Xie、Jinbo Hu

  DOI：10.1016/j.tet.2020.131676

  日期：2020.12

  ved reactions can be performed in the presence of water, the reaction of difluorocarbene using water as the only reaction medium is rare. By using TMSCF2Br as a unique difluorocarbene reagent and KHF2 as a mild activator, the difluoromethylation of liquid alcohols in water is described. This research not only develops an environmentally benign process for the synthesis of difluoromethyl ethers, but

  尽管可以在水的存在下进行许多涉及二氟卡宾的反应，但是使用水作为唯一反应介质的二氟卡宾的反应很少。通过使用TMSCF 2 Br作为独特的二氟卡宾试剂和KHF 2作为温和的活化剂，描述了液体醇在水中的二氟甲基化。这项研究不仅为二氟甲基醚的合成开发了一种环境友好的方法，而且为油水两相系统中二氟卡宾的生成和反应提供了新的见识。
• Facile difluoromethylation of aliphatic alcohols with an <i>S</i>-(difluoro-methyl)sulfonium salt: reaction, scope and mechanistic study
  作者：Guo-Kai Liu、Xin Li、Wen-Bing Qin、Xiao-Shui Peng、Henry N. C. Wong、Linxing Zhang、Xinhao Zhang

  DOI：10.1039/c9cc03487k

  日期：——

  difluoromethylation of aliphatic alcohols with an S-(difluoromethyl)sulfonium salt was developed. A wide variety of alcohols with broad functional groups are compatible to furnish the corresponding alkyl difluoromethyl ethers in good to excellent yields under mild reaction conditions. Control experiments and DFT computational studies suggest that the difluoromethylation of alcohols mainly proceeds via a difluorocarbene

  开发了一种用S-（二氟甲基）s盐对脂族醇进行二氟甲基化的简便实用方法。在温和的反应条件下，具有宽泛官能团的多种醇可相容，以良好的产率提供相应的烷基二氟甲基醚。对照实验和DFT计算研究表明，醇的二氟甲基化主要通过涉及五元过渡态并有水参与的二氟卡宾途径进行，对照实验也阐明了其在该反应中的关键作用。
• Oxooxetanes as Fungicidal Agents
  申请人：Es-Sayed Mazen

  公开号：US20100234220A1

  公开（公告）日：2010-09-16

  The present invention relates to compounds of the formula (I) below and to their agrochemically active salts and their use alone or in a mixture with other active compounds and/or auxiliaries and/or additives for controlling phytopathogenic fungi and other microorganisms in or on plants, to processes for preparing these compounds and mixtures, to intermediates of these processes and to seed treated with the compounds, salts or mixtures mentioned.

  本发明涉及以下公式（I）的化合物，以及它们的农药活性盐和它们的单独使用或与其他活性化合物和/或助剂和/或添加剂混合使用，用于控制植物内或表面的植物病原真菌和其他微生物，以及制备这些化合物和混合物的过程，这些过程的中间体以及用这些化合物、盐或混合物处理的种子。
• N,N-Dimethyl-S-difluoromethyl-S-phenylsulfoximinium tetrafluoroborate: A versatile electrophilic difluoromethylating reagent
  作者：G.K. Surya Prakash、Zhe Zhang、Fang Wang、Chuanfa Ni、George A. Olah

  DOI：10.1016/j.jfluchem.2011.04.023

  日期：2011.10

  Over the past decade, sulfur-based fluoromethyl containing compounds have been exhaustively investigated as versatile fluoroalkylating reagents by our research laboratory as well as many others. Lately, we have designed a novel electrophilic difluoromethylating protocol employing in situ prepared N,N-dimethyl-S-difluoromethyl-S-phenylsulfoximinium salt. The present reagent provides excellent reactivity toward a broad spectrum of nucleophilic species (N-, P-, S-, and O-nucleophiles) to yield the corresponding difluoromethylated products with high efficacy under mild conditions. Additional studies have been performed to elucidate the mechanistic fundamentals of the reactions. (C) 2011 Elsevier B.V. All rights reserved.
• NOVEL COMPOUNDS THAT ARE ERK INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2900223B1

  公开（公告）日：2017-10-25