thallium methyl 2,3,5,6-tetrafluoro-4-oxybenzoate | 1283109-94-3

• 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: thallium methyl 2,3,5,6-tetrafluoro-4-oxybenzoate
• 英文别名: TlOC6F4CO2Me；thallium salt of methyl 2,3,5,6-tetrafluoro-4-hydroxybenzoate；(2,3,5,6-Tetrafluoro-4-methoxycarbonylphenoxy)thallium；(2,3,5,6-tetrafluoro-4-methoxycarbonylphenoxy)thallium
• CAS: 1283109-94-3
• 化学式: C₈H₃F₄O₃*Tl
• 分子量: 427.487
• InChiKey: FCEPWEJKCAFTLS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.72
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ru(C,N-(CHCH2CH2-2-C5H4N))Cl2(IMesH2) 、 thallium methyl 2,3,5,6-tetrafluoro-4-oxybenzoate 以 二氯甲烷 为溶剂， 以66%的产率得到Ru(C,N-(CHCH2CH2-2-C5H4N))(OC6F4CO2Me)2(H2IMes)
  参考文献：
  名称：

  Latent ruthenium initiators containing fluoro aryloxide ligands

  摘要：

  A new ligand, methyl 2,3,5,6-tetrafluoro-4-oxybenzoate (C8H3F4O3), combining an electron withdrawing group (C6F4) to tune the reactivity with an anchor group (CO2Me) for immobilization on supports, was used to prepare four new ruthenium initiators, viz. Ru(C8H3F4O3)(2)(-CHPh)(3-Br-C5H5N)(H(2)IMes) and Ru(C8H3F4O3)(2)XL, where X = C,N-(=CHCH2CH2-2-C5H4N) and L = (PPr3)-Pr-i, PCy3 or H(2)IMes. The new ligand greatly reduced the reactivity of the ruthenium centre at room temperature. The H-1 NMR and DSC investigation for the ROMP of norbornene dicarboximide monomers clearly demonstrated that the Ru (C8H3F4O3)(2)XL initiators were inactive at room temperature and required elevated temperatures for their activation. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.01.014
• 作为产物：
  描述：

  methyl 2,3,5,6-tetrafluoro-4-hydroxybenzoate 、 thallium (I) ethoxide 以 四氢呋喃 为溶剂， 以90%的产率得到thallium methyl 2,3,5,6-tetrafluoro-4-oxybenzoate
  参考文献：
  名称：

  Latent ruthenium initiators containing fluoro aryloxide ligands

  摘要：

  A new ligand, methyl 2,3,5,6-tetrafluoro-4-oxybenzoate (C8H3F4O3), combining an electron withdrawing group (C6F4) to tune the reactivity with an anchor group (CO2Me) for immobilization on supports, was used to prepare four new ruthenium initiators, viz. Ru(C8H3F4O3)(2)(-CHPh)(3-Br-C5H5N)(H(2)IMes) and Ru(C8H3F4O3)(2)XL, where X = C,N-(=CHCH2CH2-2-C5H4N) and L = (PPr3)-Pr-i, PCy3 or H(2)IMes. The new ligand greatly reduced the reactivity of the ruthenium centre at room temperature. The H-1 NMR and DSC investigation for the ROMP of norbornene dicarboximide monomers clearly demonstrated that the Ru (C8H3F4O3)(2)XL initiators were inactive at room temperature and required elevated temperatures for their activation. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.01.014

文献信息

• Latent ruthenium initiators containing fluoro aryloxide ligands
  作者：Zhanru Yu、Yulia Rogan、Ezat Khosravi、Osama M. Musa、Lois Hobson、Andrei S. Batsanov

  DOI：10.1016/j.jorganchem.2011.01.014

  日期：2011.4

  A new ligand, methyl 2,3,5,6-tetrafluoro-4-oxybenzoate (C8H3F4O3), combining an electron withdrawing group (C6F4) to tune the reactivity with an anchor group (CO2Me) for immobilization on supports, was used to prepare four new ruthenium initiators, viz. Ru(C8H3F4O3)(2)(-CHPh)(3-Br-C5H5N)(H(2)IMes) and Ru(C8H3F4O3)(2)XL, where X = C,N-(=CHCH2CH2-2-C5H4N) and L = (PPr3)-Pr-i, PCy3 or H(2)IMes. The new ligand greatly reduced the reactivity of the ruthenium centre at room temperature. The H-1 NMR and DSC investigation for the ROMP of norbornene dicarboximide monomers clearly demonstrated that the Ru (C8H3F4O3)(2)XL initiators were inactive at room temperature and required elevated temperatures for their activation. (C) 2011 Elsevier B. V. All rights reserved.