2-phenyl-6-(1H-pyrazol-1-yl)pyridine | 1187030-79-0

• 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: 2-phenyl-6-(1H-pyrazol-1-yl)pyridine
• 英文别名: 2-Phenyl-6-pyrazol-1-ylpyridine
• CAS: 1187030-79-0
• 化学式: C₁₄H₁₁N₃
• 分子量: 221.261
• InChiKey: QKNQZTRJSBWPHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-phenyl-6-(1H-pyrazol-1-yl)pyridine 在 copper(l) iodide 、 溶剂黄146 、 二异丙胺 作用下， 以 二氯甲烷 为溶剂， 反应 46.0h， 生成
  参考文献：
  名称：

  Synergetic effect of C*N^N/C^N^N coordination and the arylacetylide ligands on the photophysical properties of cyclometalated platinum complexes

  摘要：

  使用不同芳基乙炔配体制备了C*N^N和C^N^N配位的铂（II）配合物，并研究了其光物理性质。

  DOI：

  10.1039/c4tc02358g
• 作为产物：
  描述：

  吡唑 、 2-溴-6-苯基吡啶 在 copper(I) oxide 、 (E)-pyridin-2-aldoxime 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以80%的产率得到2-phenyl-6-(1H-pyrazol-1-yl)pyridine
  参考文献：
  名称：

  [EN] TRIDENTATE PLATINUM (II) COMPLEXES
  [FR] COMPLEXES DE PLATINE (II) TRIDENTATES

  摘要：

  公开号：

  WO2009111299A3

文献信息

• Synthesis, Structure, Photophysics, and a DFT Study of Phosphorescent C*N^∧N- and C^∧N^∧N-Coordinated Platinum Complexes
  作者：Caleb F. Harris、Dileep A. K. Vezzu、Libero Bartolotti、Paul D. Boyle、Shouquan Huo

  DOI：10.1021/ic400732g

  日期：2013.10.21

  whereas the C∧N∧N-coordinated complexes display a nearly perfect planar geometry. The π···π interactions were revealed in the crystal packing for 1a, 2b, and 3a with a π···π contact of 3.450, 3.422, and 3.414 Å, respectively. Two conformers were revealed in the crystal structure of 2b, one with the phenyl ring of the phenylacetylide being approximately parallel with the coordination plane and the other with

  的反应Ñ，Ñ二苯基- 2,2'-联吡啶-6-胺（L1）和Ñ，Ñ二苯基-6-（1- ħ -吡唑-1-基）吡啶-2-胺（L2）与ķ 2氯铂酸4生成C *ñ ∧具有五个稠合的金属环的N-协调环铂化合物1A和2A分别，然后将其转化成它们的衍生物苯基乙炔1B和2B分别。由2-苯基-6-（1 H-吡唑-1-基）吡啶（L3）开始的类似反应产生C∧Ñ ∧ N-二配位的铂络合物图3a和3b中与五十五稠合金属环。的结构1A，1B，2B，3A，和3B中，通过X-射线晶体学测定。与c * N ∧ N-二配位的铂络合物是更接近正方形的几何形状，而C ∧ Ñ ∧ N-二协调配合物显示近乎完美的平面的几何形状。在1a，2b和3a的晶体堆积中揭示了π···π相互作用π···π接触分别为3.450、3.422和3.414Å。在2b的晶体结构中揭示了两个构象异构体，一个构象的苯乙炔的苯环大约平行于配位平面，另一个构象的苯环大
• Tridentate C^N^N ligands as cyclometalated luminophores for phosphorescent Pt(II) complexes – A case study concerning the influence of the substitution pattern and the co-ligands on the excited state properties
  作者：Tobias Theiss、María Victoria Cappellari、Thaison Nguyen、Jutta Kösters、Alexander Hepp、Cristian A. Strassert

  DOI：10.1016/j.jorganchem.2023.123003

  日期：2024.3

  pattern of the main luminophore and by exchanging the ancillary co-ligand, different Pt(II) complexes were synthesized and compared regarding their excited state properties. The complexes - bear differently decorated luminophores and a chlorido co-ligand; compounds – possess stronger ancillary ligands, such as cyanido and substituted acetylido derivates. While all complexes showed luminescence from metal-perturbed

  在这项工作中，报道了一系列带有环金属化吡唑基 C^N^N 配体作为三齿发光团的 Pt(II) 配合物的合成以及结构和光物理表征。通过改变主要发光体的取代模式和交换辅助辅助配体，合成了不同的 Pt(II) 配合物并比较了它们的激发态特性。配合物 - 具有不同装饰的发光体和氯配合配体；化合物 - 具有更强的辅助配体，例如氰基和取代的乙酰基衍生物。虽然所有配合物都显示出金属扰动配体中心三重态 (MP-LC) 的发光，但光致发光寿命 () 和量子产率 () 存在显着差异，这两者都是由平均辐射 () 和无辐射 () 的变化造成的失活速率常数。尽管氯络合物通常表现出较低的 ，但 OH 取代的化合物却达到了令人惊讶的 36% 的高值。具有氰基共配体的配合物在室温下的氩气吹扫溶液中显示出该系列中最长的寿命，为 15.76 µs，而所有氯配合物的寿命均低于 1.90 µs。使用苯乙酰基作为辅助配体时达到最高
• Tridentate Platinum (II) Complexes
  申请人：Li Jian

  公开号：US20110028723A1

  公开（公告）日：2011-02-03

  A platinum (II) complex of the general formula (I) or (II), in which Ar1, Ar2, and Ar3 are each independently aryl, heteroaryl, or heterocyclic. Ar1, Ar2, and Ar3 together form a tridentate ligand coordinated to the platinum through atoms X, Y, and Z, respectively, and X, Y, and Z are independently carbon or nitrogen. V is a bridging group or a covalent bond, and W is an anion. In general formula (I) in some cases, Ar1 is an anion and Ar2 and Ar3 are neutral; in other cases, Ar1 and Ar3 are neutral and Ar2 is an anion. In general formula (II), in some cases, Ar3 is an anion and Ar1 and Ar2 are neutral; in other cases, Ar1 and Ar3 are neutral and Ar2 is an anion. The complexes are asymmetric. The complexes emit in the UV to near IR range and are useful as emitters for organic light emitting devices.
• IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DIODES USING THE SAME
  申请人：National Tsing Hua University

  公开号：US20160359129A1

  公开（公告）日：2016-12-08

  An iridium complex represented by formula (1) and an OLED using the same are shown. In Formula (1), l, m, n, p, b, R 1 -R 6 , X 1 -X 6 , A 1 , A 2 and B are the same as defined in the specification. The iridium complex is able to emit a range of visible light with high color purity and high efficiency as neat sample.
• IRIDIUM COMPLEX, NITROGEN-CONTAINING TRIDENTATE CARBENE CHELATE, AND ORGANIC LIGHT-EMITTING DIODE
  申请人：National Tsing Hua University

  公开号：US20220140258A1

  公开（公告）日：2022-05-05

  An iridium complex has the structure: wherein X′ and X″ independently represent carbon or nitrogen; X 1 , X 2 , X 3 , and X 4 independently represent carbon or nitrogen; R 1 and R 5 independently represent substituted or unsubstituted C 1 -C 12 alkyl; R 2 , R 3 , and R 4 independently represent hydrogen, C 1 -C 12 alkyl, substituted or unsubstituted C 6 -C 12 aryl, or —C m F 2m+1 , m is from 1 to 3; each of m and n is from 1 to 3; A 1 and A 2 independently represent an unsaturated 5-membered or 6-membered ring; B is —O—, —NR— or —CR 2 —, A 2 may join with —NR— or —CR 2 — to form a C 9 -C 14 N-heteroaromatic or aromatic ring; b is 0 or 1; R 6 is hydrogen, fluorine, substituted or unsubstituted C 1 -C 12 alkyl, substituted or unsubstituted C 1 -C 6 alkoxyl, substituted or unsubstituted C 6 -C 12 aryl, substituted or unsubstituted C 1 -C 6 amino, or —C x F 2x+1 , x is from 1 to 3; and p is from 1 to 3.