2-(3'-fluorophenyl)-4,6-dimethoxy-1,3,5-triazine | 42010-79-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2-(3'-fluorophenyl)-4,6-dimethoxy-1,3,5-triazine
• 英文别名: 2-(3-Fluorophenyl)-4,6-dimethoxy-1,3,5-triazine
• CAS: 42010-79-7
• 化学式: C₁₁H₁₀FN₃O₂
• 分子量: 235.218
• InChiKey: XITBTGCUXWCQIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氯-4,6-二甲氧基-1,3,5-三嗪 、 间溴氟苯 在 3-氯丙烯 、 三氟乙酸 、 cobalt(II) bromide 、 锌 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以84%的产率得到2-(3'-fluorophenyl)-4,6-dimethoxy-1,3,5-triazine
  参考文献：
  名称：

  Cobalt-Catalyzed Arylation or Benzylation of 2-Chloro-4,6-dimethoxy-1,3,5-triazine

  摘要：

  通过钴催化，一步法将多种官能化芳基溴化物或苄基氯化物与 2-氯-4,6-二甲氧基-1,3,5-四嗪偶联，并获得了良好的产率。

  DOI：

  10.1055/s-0029-1218307

文献信息

• Organometallic alkylation of 2-chloro-4,6-dimethoxy-1,3,5-triazine: a study
  作者：Simona Samaritani、Giovanni Signore、Corrado Malanga、Rita Menicagli

  DOI：10.1016/j.tet.2005.02.085

  日期：2005.5

  The reactivity of 2-chloro-4,6-dimethoxy-1,3,5-triazine (1) has been investigated in Pd- or Ni-catalyzed cross-coupling processes with organostannanes, Grignard reagents, organoalanes and organozinc halides. All organometallic reagents considered form new C-C bonds on the heteroaromatic ring and afford the corresponding 2-alkyl-4,6-dimethoxy-1,3,5-triazines in moderate to very good yields. The collected data allows the choice of the alkylating agent as well as the experimental conditions depending on the residue to transfer. (c) 2005 Elsevier Ltd. All rights reserved.
• In Vitro Cytotoxic Activities of 2-Alkyl-4,6-diheteroalkyl-1,3,5-triazines:  New Molecules in Anticancer Research
  作者：Rita Menicagli、Simona Samaritani、Giovanni Signore、Francesca Vaglini、Lisa Dalla Via

  DOI：10.1021/jm0495374

  日期：2004.9.1

  The cytotoxic activities of new 2-alkyl-4,6-dihetero-(N,O)alkyl-1,3,5-triazines toward selected tumor cell lines have been evaluated, and for the first time, the potential of 2-alkyl-4,6-dialkoxy-1,3,5-triazines has been shown.
• Cobalt-Catalyzed Arylation or Benzylation of 2-Chloro-4,6-dimethoxy-1,3,5-triazine
  作者：Corinne Gosmini、Jeanne Bégouin、Stéphanie Claudel

  DOI：10.1055/s-0029-1218307

  日期：2009.12

  A variety of functionalized aryl bromides or benzyl chlorides were coupled with 2-chloro-4,6-dimethoxy-1,3,5-trazine in good yields by a one-step procedure via cobalt catalysis.

  通过钴催化，一步法将多种官能化芳基溴化物或苄基氯化物与 2-氯-4,6-二甲氧基-1,3,5-四嗪偶联，并获得了良好的产率。