N(CH2C4H3N(3,5-C6H3(CF3)2))3 | 955934-93-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N(CH2C4H3N(3,5-C6H3(CF3)2))3
• 英文别名: 1-[5-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]-N,N-bis[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]methanamine
• CAS: 955934-93-7
• 化学式: C₃₉H₂₄F₁₈N₄
• 分子量: 890.618
• InChiKey: WHLJUASNOGANAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  61
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  50.6
• 氢给体数：
  3
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  N(CH2C4H3N(3,5-C6H3(CF3)2))3 、 tetrachlorobis(tetrahydrofurano)molybdenum(IV) 在 LiN(Si(CH₃)3)2 作用下， 以 四氢呋喃 为溶剂， 以0%的产率得到MoCl(N(CH2C4H2N(3,5-C6H3(CF3)2))3)
  参考文献：
  名称：

  Tris(pyrrolyl-α-methyl)amines that Sterically Protect a Trigonal Metal Site

  摘要：

  Three substituted tris(pyrrolyl-alpha-methyl)amines (H-3[Aryl(3)TPA]) (Aryl = 2,4,6-C6H2Me3, 2,4,6-C6H2(i7Pr)(3) (Trip), or 3,5-C6H3(CF3)(2)) have been prepared. An X-ray study of [TriP(3)TPA]MoCl shows it to be a distorted trigonal bipyramidal species in which the 2,4,6-triisopropylphenyl substituents surround and protect the apical chloride. Attempts to prepare other Mo, Zr, and Hf complexes yielded species in which one pyrrole-containing arm remained free (Mo) or dimethylamine remained in the coordination sphere of [Aryl(3)TPA](3-) complexes (Zr, Hf).

  DOI：

  10.1021/ic701472y

文献信息

• Tris(pyrrolyl-α-methyl)amines that Sterically Protect a Trigonal Metal Site
  作者：Keith M. Wampler、Richard R. Schrock

  DOI：10.1021/ic701472y

  日期：2007.10.1

  Three substituted tris(pyrrolyl-alpha-methyl)amines (H-3[Aryl(3)TPA]) (Aryl = 2,4,6-C6H2Me3, 2,4,6-C6H2(i7Pr)(3) (Trip), or 3,5-C6H3(CF3)(2)) have been prepared. An X-ray study of [TriP(3)TPA]MoCl shows it to be a distorted trigonal bipyramidal species in which the 2,4,6-triisopropylphenyl substituents surround and protect the apical chloride. Attempts to prepare other Mo, Zr, and Hf complexes yielded species in which one pyrrole-containing arm remained free (Mo) or dimethylamine remained in the coordination sphere of [Aryl(3)TPA](3-) complexes (Zr, Hf).