Dmp(Mph)N3H | 869383-17-5

• 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: Dmp(Mph)N3H
• 英文别名: HN3(2,6-Mes2C6H3)[2-(2,4,6-iPr3C6H2)C6H4]；(2,6-(2,4,6-Me3C6H2)2C6H3)(2-(2,4,6-iPr3C6H2)C6H4)N3H；2,6-(2,4,6-Me3C6H2)2C6H3(2-(2,4,6-(i)Pr3C6H2)C6H4)N3H；N3H(2,6-Mes2C6H3)(2',4',6'-triisopropylbiphenyl-2-yl)；N3H(2-C6H4(2,4,6-iPr3C6H2))(2,6-C6H3Mes2)
• CAS: 869383-17-5
• 化学式: C₄₅H₅₃N₃
• 分子量: 635.9
• InChiKey: NZSRHFCKAFFUJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.5
• 重原子数：
  48
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  36.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
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  Dmp(Mph)N3H 生成
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• 作为产物：
  描述：

  2,6-dimesitylphenyl azide 、 2'-iodo-2,4,6-triisopropyl-1,1'-biphenyl 生成 Dmp(Mph)N3H
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文献信息

• Halogenomercury Salts of Sterically Crowded Triazenides - Convenient Starting Materials for Redox-Transmetallation Reactions
  作者：Sven-Oliver Hauber、Jang Woo Seo、Mark Niemeyer

  DOI：10.1002/zaac.200900482

  日期：2010.4

  redox-transmetallation reactions with rare-earth or alkaline earth metals. Thus, reaction of 4b or 2b with magnesium or ytterbium in tetrahydrofuran afforded the triazenides Dmp(Tph)N3MX(thf) (5b: M = Mg, X = I; 6b: M = Yb, X = Cl) in good yield. All new compounds were characterized by melting point, 1H and 13C NMR spectroscopy and for selected species by IR spectroscopy or mass spectrometry. In addition

  二芳基取代的三氮杂Ar(Ar')N3HgX [Ar/Ar' = Dmp/Mph, X = Cl (2a), Br (3a), I (4a); Ar/Ar' = Dmp/Tph, X = Cl (2b), I (4b) 与 Mph = 2-MesC6H4, Mes = 2,4,6-Me3C6H2, Tph = 2',4',6'-三异丙基联苯- 2-yl 和 Dmp = 2,6-Mes2C6H3] 是通过在乙醚中的盐复分解反应从容易获得的起始材料 Ar(Ar')N3Li 和 HgX2 合成的。这些化合物可用于与稀土或碱土金属的氧化还原金属转移反应。因此，4b 或 2b 与镁或镱在四氢呋喃中的反应以良好的收率提供了三氮化合物 Dmp(Tph)N3MX(thf)（5b：M = Mg，X = I；6b：M = Yb，X = Cl）。所有新化合物均通过熔点、1H 和 13C NMR 光谱进行表征，并通过
• Isostructural Potassium and Thallium Salts of Sterically Crowded Triazenes: A Structural and Computational Study
  作者：Hyui Sul Lee、Sven-Oliver Hauber、Denis Vinduš、Mark Niemeyer

  DOI：10.1021/ic800029z

  日期：2008.5.19

  Because of their similar cationic radii, potassium and thallium(l) compounds are usually regarded as closely related. Homologous molecular species containing either K+ or Tl+ are very rare, however. We have synthesized potassium and thallium salts MN3RR' derived from the biphenyl- or terphenyl-substituted triazenes Tph(2)N(3)H (1a), Dmp(Mph)N3H (1b), Dmp(Tph)N3H (1c), and (Me(4)Ter)(2)N3H (1d) (Dmp = 2,6-Mes(2)C(6)H(3) with Mes = 2,4,6-Me3C6H2; Me(4)Ter = 2,6-(3,5-Me2C6H3)(2)C6H3; Mph = 2-MesC(6)H(4); Tph = 2-TriPC(6)H(4) with Trip = 2,4,6-(Pr3C6H2)-Pr-i). The potassium complexes 2a-d were obtained in almost quantitative yield from the reaction of 1a-d with potassium metal in n-heptane. Metalation of 1a-d with TIOEt afforded the thallium triazenides 3a-d in high yields. All new compounds have been characterized by H-1 and C-13 NMR spectroscopy, elemental analysis, and X-ray crystallography and for selected species by melting point (not 3b), IR spectroscopy (2a, 2d, 3a, 3c, 3d), and mass spectrometry (2a, 3c). In the solid-state structures of monomeric 2a and 3a, quasi-monomeric 2b, 3b, 2c, and 3c, and dimeric 2d and 3d additional metal-eta(n)-pi-arene-interactions to the flanking arms of the biphenyl- and terphenyl groups in the triazenide ligands of decreasing hapticity n are observed. Remarkably, all homologous potassium and thallium complexes crystallize in isomorphous cells. For 2a and 3a, the nature of the M-N and M center dot center dot center dot C(arene) bonding was studied by density functional theory calculations.
• Homoleptic Heavy Alkaline Earth and Europium Triazenides
  作者：Hyui Sul Lee、Mark Niemeyer

  DOI：10.1021/ic902055h

  日期：2010.1.18

  The sigma-bond metathesis reaction between PhSiH(3) and the heteroleptic metal pentafluorophenyl compounds [Dmp(Tph)N(3)MC(6)F(5)(thf)(n)] (Dmp = 2,6-Mes(2)C(6)H(3) with Mes = 2,4,6-Me(3)C(6)H(2); Tph = 2-TripC(6)H(4) with Trip = 2,4,6-(i)Pr(3)C(6)H(2); n = 1, 2; M = Sr, Ba, Eu) supported by sterically crowded, biphenyl- and terphenyl-substituented triazenido ligands afforded the first homoleptic stontium, barium, and europium triazenides [MN(3)Dmp(Tph)}(2)] M = Sr (2), Ba (4), Eu (5)}. Crystallization of 2 from an n-heptane/1,2-dimethoxyethane mixture gave the complex [SrN(3)Dmp(Tph)}(2)(dme)] (3). All new compounds have been characterized by (1)H and (13)C NMR spectroscopy (not 5), elemental analysis, IR spectroscopy (5 only), and X-ray crystallography. In the solid-state structures, the first coordination sphere of the metal cations consists of four nitrogen atoms of the two bidentate triazenide ligands. Additional metal-eta(n)-pi-arene-interactions of different hapticity n (n = 3-6) are observed to the flanking arms of the terphenyl substituents.
• Stabilization of Aryl-Calcium, -Strontium, and -Barium Compounds by Designed Steric and π-Bonding Encapsulation
  作者：Sven-Oliver Hauber、Falk Lissner、Glen B. Deacon、Mark Niemeyer

  DOI：10.1002/anie.200501494

  日期：2005.9.12
• Sterically crowded triazenides as novel ancillary ligands in copper chemistry
  作者：Hyui Sul Lee、Mark Niemeyer

  DOI：10.1016/j.ica.2011.01.079

  日期：2011.8

  We have synthesized copper salts MN3RR ' derived from the biphenyl-or m-terphenyl-substituted triazenes Tph(2)N(3)H (1a) and Dmp(Tph)N3H (1b) (Dmp = 2,6-Mes(2)C(6)H(3) with Mes = 2,4,6-Me3C6H2; Tph = 2TripC(6)H(4) with Trip = 2,4,6-i-Pr3C6H2). The homoleptic copper triazenide [CuN(3)Tph(2)] (2a) was obtained in high yield from the metallation of 1a with mesityl copper in n-heptane, while the complex [CuN3(Dmp)Tph] (2b) was generated by the same method in situ only. Reaction of 2a with triphenylphosphane gave the 2:1 adduct [CuN(3)Tph(2)(PPh3)(2)] (3a), regardless of the used complex/ donor ratio, while reaction of 2a or 2b with a stochiometric amount of t-butylisonitrile afforded the 1:1 adducts [Tph(2)N(3)CuCNtBu] (4a) and [Dmp(Tph) N(3)CuCNtBu] (4b). All new compounds (except 2b) have been characterized by H-1 NMR, C-13 NMR and IR spectroscopy, elemental analysis, melting point (not 2a), and X-ray crystallography. The IR spectroscopic examination of the v(C N) stretch in the isonitrile adducts 4a and 4b revealed the weaker donor character of the supporting triazenido ligands compared to related beta-diketiminato ligands. (C) 2011 Elsevier B.V. All rights reserved.