(6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato)copper(II) | 56285-38-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: (6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato)copper(II)
• 英文别名: (5,7,12,14-tetramethyldibenzo-1,4,8,11-tetraazacyclotetradecine)copper(II)；{Cu(Me4(Bzo)2{14}tetraeneN4)}；[Cu(Me4Bzo[14]tetraeneN4)]；copper;(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene
• CAS: 56285-38-2
• 化学式: C₂₂H₂₂CuN₄
• 分子量: 405.989
• InChiKey: ITPNYLWBFKIFAD-AWVXDNFQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  三氟乙酰氯 、 (6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato)copper(II) 在 三乙胺 作用下， 以 苯 为溶剂， 生成 (5,7,12,14-tetramethyl-6,13-bis(trifluoroacetyl)-2,3:9,10-dibenzo-1,4,8,11-tetraazacyclotetradeca-2,4,6,9,11,13-hexaenato(2-)-κ(4)N)copper(II)
  参考文献：
  名称：

  Dzugan, Sharlene J.; Busch, Daryle H., Inorganic Chemistry, 1990, vol. 29, # 13, p. 2528 - 2532

  摘要：

  DOI：
• 作为产物：
  描述：

  7,16-dihydro-6,8,15,17-tetramethyldibenzo[b,i](1,4,8,11)tetraazacyclotetradecine 、 copper(II) acetate monohydrate 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以52%的产率得到(6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato)copper(II)
  参考文献：
  名称：

  铜催化烷烃向烯丙基酯的氧化脱氢功能化

  摘要：

  摘要在这里，我们报告了一种通用，有效且无溶剂的方法，该方法通过未活化的烷烃的脱氢反应以及随后与不同取代的羧酸的氧化交叉偶合一锅合成烯丙基酯。一种简单，定义明确且空气稳定的Cu（II）络合物[Cu（MeTAA）]以四氮杂-大环配体（四甲基四氮杂[14]环戊烯（MeTAA））为催化剂。从容易获得的起始原料开始，高收率地合成了各种各样的取代的烯丙基酯。进行对照反应以了解反应顺序和合理的机理。

  DOI：

  10.1016/j.ica.2019.119190
• 作为试剂：
  描述：

  环辛烷 、 苯甲酸 在 叔丁基过氧化氢 、 (6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato)copper(II) 作用下， 以 neat (no solvent) 为溶剂， 反应 24.0h， 以15%的产率得到cyclooct-2-en-1-yl benzoate
  参考文献：
  名称：

  铜催化烷烃向烯丙基酯的氧化脱氢功能化

  摘要：

  摘要在这里，我们报告了一种通用，有效且无溶剂的方法，该方法通过未活化的烷烃的脱氢反应以及随后与不同取代的羧酸的氧化交叉偶合一锅合成烯丙基酯。一种简单，定义明确且空气稳定的Cu（II）络合物[Cu（MeTAA）]以四氮杂-大环配体（四甲基四氮杂[14]环戊烯（MeTAA））为催化剂。从容易获得的起始原料开始，高收率地合成了各种各样的取代的烯丙基酯。进行对照反应以了解反应顺序和合理的机理。

  DOI：

  10.1016/j.ica.2019.119190

文献信息

• Supramolecular confinement of C60, S8, P4Se3 and toluene by metal(II) macrocyclic complexes
  作者：Philip C. Andrews、Jerry L. Atwood、Leonard J. Barbour、Paul D. Croucher、Peter J. Nichols、Naomi O. Smith、Brian W. Skelton、Allan H. White、Colin L. Raston

  DOI：10.1039/a903669e

  日期：——

  Treatment of S8 or P4Se3 with 5,7,12,14-tetramethyldibenzo[b,i]-1,4,8,11-tetraaza[14]annulenato}metal(II) [ M(TMTAA)] in carbon disulfide afforded the solid state 1∶2 inclusion complexes [(S8)M(TMTAA)}2], M = Ni or Cu (isostructural), or [(P4Se3)Ni(TMTAA)}2]. A toluene inclusion complex [(MeC6H5)Ni(TMTAA)] resulted from the recrystallisation of [Ni(TMTAA)] from toluene. Recrystallisation of [Ni(TMTAA)] from CS2–hexane resulted in the unsolvated complex. All complexes are comprised of interlocking dimers of the macrocycle, and in the inclusion complexes these dimers act as homotopic divergent receptors either through the methyl- or phenyl-lined surfaces. Solid state 1∶1 C60 inclusion complexes of [M(TMTAA)], M = Cu or Zn, have individual macrocycle molecules acting as heterotopic divergent receptors.

  将 S8 或 P4Se3 与5,7,12,14-四甲基二苯并[b,i]-1,4,8、11-四氮杂[14]环烯}金属（II）[M(TMTAA)]在二硫化碳中进行处理，可得到固态 1∶2 包合物[(S8)M(TMTAA)}2]（M = Ni 或 Cu（等结构））或[(P4Se3)Ni(TMTAA)}2]。Ni(TMTAA)] 从甲苯中重结晶出的甲苯包合物 [(MeC6H5)Ni(TMTAA)]。Ni(TMTAA)]从 CS2-己烷中重结晶出未溶解的复合物。所有配合物都由大环的互锁二聚体组成，在包涵配合物中，这些二聚体通过甲基或苯基衬里表面充当同位发散受体。固态 1∶1 C60 包合物[M(TMTAA)]（M = 铜或锌）中的单个大环分子充当异位发散受体。
• Synthesis, characterization, electrochemistry and axial ligation properties of macrocyclic divalent metal complexes of acetylacetone buckled with different diamines
  作者：K. Hussain Reddy、M. Radhakrishna Reddy、K. Mohana Raju

  DOI：10.1016/s0277-5387(96)00594-3

  日期：1997.1
• Porphyrin-like macrocyclic complexes: molecular and electronic structure of (5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato)copper(II)
  作者：Giampaolo Ricciardi、Alfonso Bavoso、Angela Rosa、Francesco Lelj、Yury Cizov

  DOI：10.1039/dt9950002385

  日期：——

  Reaction of equimolar amounts of Li-2(tmtaa) (H(2)tmtaa = 5.14-dihydro-6,8.15,17-tetramethyldibenzo[b,i][1,4.8,11] tetraazacyclotetradecine) with Cu(O(2)CMe)(2) afforded the [Cu(tmtaa)] complex in >98% yield. Single-crystal X-ray diffraction studies have shown that the structure of [Cu(tmtaa)] is monoclinic, space group P2(1)/c, with a = 14.332(1)degrees b =16.443(2), c =16.313(2) Angstrom, beta = 100.03(1)degrees and Z = 8. The complex exhibits;the usual saddle-shaped geometry reported for this ligand. The average Cu-N distance is 1.929 Angstrom and the displacement of the copper centre out of the N-4 plane is only 0.070 Angstrom. The electronic structure of the complex has been established by combined ultraviolet photoelectron spectroscopy and density functional calculations. The relevant features of the metal-ligand interaction are typical of porphyrin-like copper tetraazamacrocycles.
• Sakata, Kazunori; Yamaura, Fumio; Hashimoto, Mamoru, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1990, vol. 20, p. 1043 - 1058
  作者：Sakata, Kazunori、Yamaura, Fumio、Hashimoto, Mamoru

  DOI：——

  日期：——
• Host (nanocavity of zeolite-Y)–guest (tetraaza[14]annulene copper(II) complexes) nanocomposite materials: Synthesis, characterization and liquid phase oxidation of benzyl alcohol
  作者：Masoud Salavati-Niasari

  DOI：10.1016/j.molcata.2005.09.046

  日期：2006.2

  Copper(II) complexes with tetraaza[14]annulene ligands "5,7,12,14-tetramethyldibenzo-1,4,8,11-tetraazacyclotetradecine [Cu(Me(4)R(2)Bzo[14]tetraeneN(4))] (R=H, CH3, Cl and NO2)" have been prepared from the one-pot template condensation reaction of substituted-1,2-phenylenediamine (4-methyl-; 4-chloro-; 4-nitro-1,2-phenylenediamine) with 2,4-pentanedione in the presence of copper(II) ion within the nanocavity pores of zeolite-Y "[Cu(Me(4)R(2)Bzo[14]tetraeneN(4))]-NaY". The new materials were characterized by several techniques: chemical analysis and spectroscopic methods (FT-IR, UV/vis, XRD, BET and DRS). The analytical data indicated a composition corresponding to the mononuclear complex of tetraaza[14]annulene. The characterization data showed the absence of extraneous complexes, retention of zeolite crystalline structure and encapsulation in the nanocavities. Encapsulated copper(II) complex is catalytically very efficient as compared to other neat complexes for the partial oxidation of benzyl alcohol and is stable to be recycled without much deterioration. (c) 2005 Elsevier B.V. All rights reserved.