((tert-butyl-l4-azaneylidyne)methyl)(3-((1'r,3'r)-2,2'',4,4'',6,6''-hexamethyl-[1,1':3',1''-terphenyl]-2'-yl)-1-(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)triaz-2-en-1-yl)copper | 1319747-66-4

• 英文名称: ((tert-butyl-l4-azaneylidyne)methyl)(3-((1'r,3'r)-2,2'',4,4'',6,6''-hexamethyl-[1,1':3',1''-terphenyl]-2'-yl)-1-(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)triaz-2-en-1-yl)copper
• CAS: 1319747-66-4
• 化学式: C₅₀H₆₁CuN₄
• 分子量: 781.607
• InChiKey: PUZUJOUYTHJKFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  ((tert-butyl-l4-azaneylidyne)methyl)(3-((1'r,3'r)-2,2'',4,4'',6,6''-hexamethyl-[1,1':3',1''-terphenyl]-2'-yl)-1-(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)triaz-2-en-1-yl)copper 、 苯 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Sterically crowded triazenides as novel ancillary ligands in copper chemistry

  摘要：

  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.

  DOI：

  10.1016/j.ica.2011.01.079
• 作为产物：
  描述：

  异氰酸叔丁酯 、 mesitylcopper(I) 、 HN3(2,6-Mes2C6H3)[2-(2,4,6-iPr3C6H2)C6H4] 以 正庚烷 为溶剂， 以49%的产率得到((tert-butyl-l4-azaneylidyne)methyl)(3-((1'r,3'r)-2,2'',4,4'',6,6''-hexamethyl-[1,1':3',1''-terphenyl]-2'-yl)-1-(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)triaz-2-en-1-yl)copper
  参考文献：
  名称：

  Sterically crowded triazenides as novel ancillary ligands in copper chemistry

  摘要：

  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.

  DOI：

  10.1016/j.ica.2011.01.079