2-benzyl-1-chloro-3-fluorobenzene | 1620217-68-6

• 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-benzyl-1-chloro-3-fluorobenzene
• CAS: 1620217-68-6
• 化学式: C₁₃H₁₀ClF
• 分子量: 220.674
• InChiKey: SWQVEDOZTYSQGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-benzyl-1-chloro-3-fluorobenzene 在 N-溴代丁二酰亚胺(NBS) 、 水 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以84%的产率得到(2-chloro-6-fluorophenyl)(phenyl)methanone
  参考文献：
  名称：

  Synthesis of structurally diverse diarylketones through the diarylmethyl sp3 CH oxidation

  摘要：

  Under open-flask conditions, an efficient method to assemble a series of diversely functionalized diarylketones in the presence of commercially available NBS has been developed. Yields of up to 99% have been achieved employing diarylmethanes as starting material. Based on O-18-labeled experiment, the addition of stoichiometric water eventually leads to excellent yields in all carbonylation cases. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.06.047
• 作为产物：
  描述：

  2-氯-6-氟-苯甲醛 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 2-benzyl-1-chloro-3-fluorobenzene
  参考文献：
  名称：

  Synthesis of structurally diverse diarylketones through the diarylmethyl sp3 CH oxidation

  摘要：

  Under open-flask conditions, an efficient method to assemble a series of diversely functionalized diarylketones in the presence of commercially available NBS has been developed. Yields of up to 99% have been achieved employing diarylmethanes as starting material. Based on O-18-labeled experiment, the addition of stoichiometric water eventually leads to excellent yields in all carbonylation cases. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.06.047

文献信息

• Ethers as hydrogen sources in BF₃·OEt₂ promoted reduction of diphenylmethyl alcohols, ethers and esters to hydrocarbons
  作者：Jiaqiang Li、Qing Liu、Hang Shen、Ruofeng Huang、Xiaohui Zhang、Yan Xiong、Changguo Chen

  DOI：10.1039/c5ra14775a

  日期：——

  A novel ether/BF3 reductive system has been described, in which diphenylmethanols and their ether and ester derivatives are used as starting materials. Reductions are performed in ether under reflux and an argon atmosphere, and the addition of extra water is beneficial to this reduction. A series of alkanes are able to be prepared with good to excellent yields. A deuterated experiment exhibits that

  已经描述了一种新颖的醚/ BF 3还原体系，其中二苯甲醇及其醚和酯衍生物被用作起始原料。还原反应是在乙醚中在回流和氩气气氛下进行的，加入额外的水有利于该还原反应。能够以良好或优异的产率制备一系列烷烃。氘代实验表明还原性氢是从醚中产生的。详细讨论了该机制以解释观察到的反应性。
• AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP3312172B1

  公开（公告）日：2020-05-06
• Synthesis of structurally diverse diarylketones through the diarylmethyl sp3 CH oxidation
  作者：Chao He、Xiaohui Zhang、Ruofeng Huang、Jing Pan、Jiaqiang Li、Xuege Ling、Yan Xiong、Xiangming Zhu

  DOI：10.1016/j.tetlet.2014.06.047

  日期：2014.8

  Under open-flask conditions, an efficient method to assemble a series of diversely functionalized diarylketones in the presence of commercially available NBS has been developed. Yields of up to 99% have been achieved employing diarylmethanes as starting material. Based on O-18-labeled experiment, the addition of stoichiometric water eventually leads to excellent yields in all carbonylation cases. (C) 2014 Elsevier Ltd. All rights reserved.