| 1293999-97-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1293999-97-9
• 化学式: C₉H₄BrClF₅N
• 分子量: 336.486
• InChiKey: NASSGUUDNCJVBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.96
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  在 氨 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以96%的产率得到2-bromo-2,2-difluoro-N'-(4-(trifluoromethyl)phenyl)acetamidine
  参考文献：
  名称：

  An efficient method to access 2-fluoroalkylbenzimidazoles by PIDA oxidation of amidines

  摘要：

  A mild and practical strategy for the synthesis of 2-bromodifluoromethyl (or trifluoromethyl)-1H-benzimidazoles via PIDA-mediated oxidative intramolecular cyclization of the fluorinated amidines is described. The approach has the advantages of superior yields, excellent functional groups tolerance and mild reaction conditions. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.06.007

文献信息

• A cascade process for the synthesis of gem-difluoromethylene compounds
  作者：Zixian Chen、Jiangtao Zhu、Haibo Xie、Shan Li、Yongming Wu、Yuefa Gong

  DOI：10.1039/c1ob00027f

  日期：——

  An efficient strategy for the synthesis of 2,2-difluoro-2,3-dihydrofuran derivatives from β-fluoroalkyl-β-enaminoketones is described. The reaction occurred via an intramolecular halophilic attack-initiated cascade process. A series of 2,3-dihydrofurans were prepared in high yields. And an intermolecular domino process achieved providing polysubstituted furans. The mechanism of the reaction is discussed.

  描述了一种高效的合成2,2-二氟-2,3-二氢呋喃衍生物的策略，该方法由β-氟烷基-β-烯氨酮出发。反应通过一种分子内卤亲攻击引发的级联过程进行。制备了一系列高产率的2,3-二氢呋喃。同时实现了通过分子间多米诺过程来提供多取代的呋喃。讨论了反应的机制。
• Au(I)-Catalyzed Intramolecular Hydroamination of the Fluorinated <i>N′</i>-Aryl-<i>N</i>-Propargyl Amidines: Mild Conditions for the Synthesis of 2-Fluoroalkyl Imidazole Derivatives
  作者：Shan Li、Zhengke Li、Yafen Yuan、Dongjie Peng、Yajun Li、Lisi Zhang、Yongming Wu

  DOI：10.1021/ol3000525

  日期：2012.2.17

  The gold(I)-catalyzed synthesis of 2-fluoroalkyl imidazole derivatives was developed. Catalyzed by gold(I), propargyl amidines underwent a 5-exo-dig cyclization to afford 2-fluoroalkyl-5-methyl imidazoles. Also, 2-fluoroalkyl imidazole-5-carbaldehydes were obtained in the presence of NIS. A mechanism investigation manifested the probable process and the carbonyl oxygen derived from O2.

  开发了金（I）催化的2-氟烷基咪唑衍生物的合成。在金（I）的催化下，炔丙基am进行5 -exo-dig环化，得到2-氟烷基-5-甲基咪唑。同样，在NIS存在下获得2-氟烷基咪唑-5-甲醛。机理研究表明可能的过程和O 2衍生的羰基氧。
• Cu(I)-catalyzed coupling reactions of fluorinated imidoyl halides with terminal alkynes: Convenient synthesis of fluorinated alkynyl imines
  作者：Shan Li、Jiangtao Zhu、Haibo Xie、Zixian Chen、Yongming Wu

  DOI：10.1016/j.jfluchem.2011.01.003

  日期：2011.3

  The first example of coupling reactions of fluorinated imidoyl halides with terminal alkynes catalyzed by CuI is presented. Each reaction needed no ligand, and fluorinated alkynyl imines were obtained with excellent yields.

  给出了氟化亚胺基卤与CuI催化的末端炔烃偶联反应的第一个例子。每个反应都不需要配体，并且以优异的产率获得了氟化的炔基亚胺。