4'-[4-(dodecyloxy)phenyl]-6'-phenyl-2,2'-bipyridine | 185027-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4'-[4-(dodecyloxy)phenyl]-6'-phenyl-2,2'-bipyridine
• 英文别名: 4-(4-Dodecoxyphenyl)-2-phenyl-6-pyridin-2-ylpyridine
• CAS: 185027-45-6
• 化学式: C₃₄H₄₀N₂O
• 分子量: 492.704
• InChiKey: NWMXQWLKKHJBEJ-UHFFFAOYSA-N

物化性质

• 沸点：
  611.8±55.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  37
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二(氰基苯)二氯化钯 、 4'-[4-(dodecyloxy)phenyl]-6'-phenyl-2,2'-bipyridine 以 甲醇 、 苯 为溶剂， 以84%的产率得到chloropalladium(1+);4-(4-dodecoxyphenyl)-2-phenyl-6-pyridin-2-ylpyridine
  参考文献：
  名称：

  Anisometric Cyclometalated Palladium(II) and Platinum(II) Complexes. Structural and Photophysical Studies

  摘要：

  The potentially tridentate ligand 4'-[4-(dodecyloxy)phenyl]-6'-phenyl-2,2'-bipyridine (HL1) easily undergoes metalation at the ortho-C atom, yielding the rodlike complexes [Pd(L-1)Cl] (1) and [Pt(L-1)Cl] (2). The solid state features and the photophysical properties of the complexes have been studied. Crystal data for 2: PtC34H39-ClN2O, triclinic, P (1) over bar, a = 9.043(2) Angstrom, b = 10.874(2) Angstrom, c = 15.710(4) Angstrom, alpha = 96.95(2)degrees, beta = 92.51(2)degrees, degrees = 102.32(2)degrees, V = 1494.3(6) Angstrom(3), Z = 2, and final R = 0.0387 (R-W = 0.0335) for 4333 independent reflections. The electronic spectra of complexes 1 and 2 show intense absorption bands in the UV region due to metal-perturbed ligand-centered (LC) transitions. In addition, complex 2 shows a moderately intense metal-to-ligand charge-transfer (MLCT) band in the visible region. Both complexes 1 and 2 show luminescence, although under different conditions. Strong emission has been observed for a 77 K glassy solution (highest energy feature 495 nm; tau = 74 mu s) or room-temperature crystal (lambda(max) = 490 nm) of 1. In both cases, the emission was assigned to a triplet LC excited state. Complex 2 exhibits emission from a (MLCT)-M-3 level both in solution at room temperature (lambda(max) = 590 nm; tau = 700 ns; Phi = 0.037) and in glass at 77 K (lambda(max) = 545 nm; tau = 18 mu s). The room-temperature emission of crystalline 2 (highest energy feature 590 nm) is also similar in energy to that observed in fluid solution and exhibits the typical MLCT vibrational progression, thus ruling out a contribution from either metal-metal or strong pi-pi interactions.

  DOI：

  10.1021/ic9703540
• 作为产物：
  描述：

  N-苯甲酰甲基溴吡啶 、 1-(2-Pyridyl)-3-(4-dodecyloxyphenyl)propen-1-one 以43%的产率得到4'-[4-(dodecyloxy)phenyl]-6'-phenyl-2,2'-bipyridine
  参考文献：
  名称：

  C,N,N-Cyclometallated palladium(II) complexes: a step forward to luminescent metallomesogens

  摘要：

  4'-官能化 6'-苯基-2,2'-联吡啶配体 (HLn, n= 1–3) 的环钯化产生 [PdLnCl] 物质，如 [PdL1Cl] 的晶体结构所示； HL3 和 [PdL3Cl] 观察到热致向列介晶现象；后者在 77 K 时也具有光致发光性。

  DOI：

  10.1039/cc9960002463

文献信息

• Metal-Containing Amphiphiles: Orthometallated Iridium(III) Complexes with Substituted 6′-Phenyl-2,2′-bipyridines
  作者：Francesco Neve、Alessandra Crispini

  DOI：10.1002/(sici)1099-0682(200005)2000:5<1039::aid-ejic1039>3.0.co;2-2

  日期：2000.5
• TRANSITION METAL LUMINESCENT COMPLEXES AND METHODS OF USE
  申请人：The University of Hong Kong

  公开号：US20200172562A1

  公开（公告）日：2020-06-04

  Described herein are transition metal complexes containing nickel(II), as the central metal atom, and tridentate and tetradentate ligands. The transition metal complexes also include an ancillary ligand with strong σ-donating properties. The ancillary ligand enhances the luminescence by increasing the chances of populating the emissive state. The transition metal complexes are emissive at room temperature and/or low temperature in various media, rendering them useful as light-emitting materials for OLEDs.