1-[4-(9-Phenylfluoren-9-yl)phenyl]-5-(2,4,6-trimethylphenyl)pyrazole | 1429062-80-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 1-[4-(9-Phenylfluoren-9-yl)phenyl]-5-(2,4,6-trimethylphenyl)pyrazole
• 英文别名: 1-[4-(9-phenylfluoren-9-yl)phenyl]-5-(2,4,6-trimethylphenyl)pyrazole
• CAS: 1429062-80-5
• 化学式: C₃₇H₃₀N₂
• 分子量: 502.659
• InChiKey: JUFVPGZQECQYDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  、 1-[4-(9-Phenylfluoren-9-yl)phenyl]-5-(2,4,6-trimethylphenyl)pyrazole 在 silver trifluoromethanesulfonate 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 146.0h， 以47%的产率得到
  参考文献：
  名称：

  [EN] PREPARATION OF HETEROLEPTIC METAL COMPLEXES
  [FR] PRÉPARATION DE COMPLEXES MÉTALLIQUES HÉTÉROLEPTIQUES

  摘要：

  制备过渡金属M的杂配合物的方法，其化学式为[M(L)nL']，其中M是Ir、Rh、Pt或Pd，当M = Ir或Rh时，n为2，当M = Pt或Pd时，n为1，L是一个双齿环金属配体，通过共价金属-C和给体-金属键与金属M配位。该方法通过在有机溶剂和水的溶剂混合物中，水的体积比超过25％，在50℃至260℃的温度下，将一般式为[LnM(µ-X)2)MLn]的卤桥二聚体与化合物L'-H的双齿配体化合物或一般式为[L'nM(µ-X)2-ML'n]的卤桥二聚体与化合物L-H的配体化合物反应，其中(µ-X)代表桥联卤素。反应过程中，加入0至5摩尔当量的卤素X离子清除剂，以及基于卤桥二聚体中过渡金属的摩尔量，0至0.8摩尔的添加盐和0至10体积％的增溶剂，以提高卤桥二聚体在反应混合物中的溶解度。

  公开号：

  WO2013098189A1
• 作为产物：
  描述：

  9-(4-溴苯基)-9-苯基芴 在 2-双环己基膦-2',6'-二甲氧基联苯 、 copper(I) oxide 、 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 正丁基锂 、 水杨醛肟 、 caesium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 71.0h， 生成 1-[4-(9-Phenylfluoren-9-yl)phenyl]-5-(2,4,6-trimethylphenyl)pyrazole
  参考文献：
  名称：

  Preparation of heteroleptic metal complexes

  摘要：

  一种制备过渡金属M的杂配合物的方法，其通式为[M(L)nL']，其中M为Ir、Rh、Pt或Pd，当M = Ir或Rh时，n为2，当M = Pt或Pd时，n为1，L为通过共价金属-C和给体原子-金属键与金属M配位的双齿环基金属配体，通过将通式为[LnM（µ-X）2）MLn]的卤桥二聚体与通式为L'-H的双齿配体化合物或通式为[L'nM（µ-X）2-ML'n]的卤桥二聚体与通式为L-H的配体化合物在有机溶剂和水的溶剂混合物中反应，所述溶剂混合物中水的体积分数大于25％，温度在50至260℃之间，在反应混合物中引入halide X-离子的摄取剂的摄取量相对于卤桥二聚体的摩尔当量数为0至5，基于卤桥二聚体中过渡金属的摩尔量的添加盐的摩尔量为0至0.8，基于溶剂混合物的总体积的10体积％以下的增加卤桥二聚体在反应混合物中溶解度的溶解剂。

  公开号：

  EP2676964A1

文献信息

• PREPARATION OF HETEROLEPTIC METAL COMPLEXES
  申请人：SOLVAY SA

  公开号：US20140378685A1

  公开（公告）日：2014-12-25

  A process for the manufacture of heteroleptic complexes of a transition metal M having the general formula [M(L) n L′] wherein M is Ir, Rh, Pt or Pd and n is 2 for M=Ir or Rh and n is 1 for M=Pt or Pd and L is a bidentate cyclometallated ligand coordinated to the metal M through covalent metal-C and dative donor-atom-metal bonds, by reacting a halo-bridged dimer of general formula [L n M(μ-X) 2 )ML n ] with a bidentate ligand compound of formula L′-H or a halo-bridged dimer of general formula [L′ n M(μ-X) 2 ) -ML′ n ] with a ligand compound of formula L-H where (μ-X) represents a bridging halide in a solvent mixture of an organic solvent and water comprising more than 25 vol % of water at a temperature of from 50 to 260° C. in the presence of from 0 to 5 molar equivalents relative to the number of moles of halide X-ion introduced into the reaction mixture through the halo-bridged dimer of a scavenger for halide X-ion and in the presence of from 0 to 0.8 moles, based on the molar amount of transition metal in the halo-bridged dimer of an added salt and of from 0 to 10 vol %, based on the total volume of the solvent mixture, of a solubilisation agent increasing the solubility of the halo-bridged dimer in the reaction mixture.
• [EN] LIGHT EMITTING MATERIAL<br/>[FR] MATÉRIAU PHOTOÉMETTEUR
  申请人：SOLVAY

  公开号：WO2013045402A1

  公开（公告）日：2013-04-04

  This invention pertains to novel phosphorescent light emitting materials and more particularly to blue-emitting materials involving metallic complexes wherein at least one ligand comprises a 9,9'-spirobifluorenyl and/or a 9,9-diphenyl-9H-fluorenyl moiety.
• Preparation of heteroleptic metal complexes
  申请人：SOLVAY SA

  公开号：EP2676964A1

  公开（公告）日：2013-12-25

  A process for the manufacture of heteroleptic complexes of a transition metal M having the general formula [M(L)nL'] wherein M is Ir, Rh, Pt or Pd and n is 2 for M = Ir or Rh and n is 1 for M = Pt or Pd and L is a bidentate cyclometallated ligand coordinated to the metal M through covalent metal-C and dative donor-atom-metal bonds, by reacting a halo-bridged dimer of general formula [LnM(µ-X)2)MLn] with a bidentate ligand compound of formula L'-H or a halo-bridged dimer of general formula [L'nM(µ-X)2-ML'n] with a ligand compound of formula L-H where (µ-X) represents a bridging halide in a solvent mixture of an organic solvent and water comprising more than 25 vol% of water at a temperature of from 50 to 260 °C in the presence of from 0 to 5 molar equivalents relative to the number of moles of halide X- ion introduced into the reaction mixture through the halo-bridged dimer of a scavenger for halide X- ion and in the presence of from 0 to 0.8 moles, based on the molar amount of transition metal in the halo-bridged dimer of an added salt and of from 0 to 10 vol%, based on the total volume of the solvent mixture, of a solubilisation agent increasing the solubility of the halo-bridged dimer in the reaction mixture.

  一种制备过渡金属M的杂配合物的方法，其通式为[M(L)nL']，其中M为Ir、Rh、Pt或Pd，当M = Ir或Rh时，n为2，当M = Pt或Pd时，n为1，L为通过共价金属-C和给体原子-金属键与金属M配位的双齿环基金属配体，通过将通式为[LnM（µ-X）2）MLn]的卤桥二聚体与通式为L'-H的双齿配体化合物或通式为[L'nM（µ-X）2-ML'n]的卤桥二聚体与通式为L-H的配体化合物在有机溶剂和水的溶剂混合物中反应，所述溶剂混合物中水的体积分数大于25％，温度在50至260℃之间，在反应混合物中引入halide X-离子的摄取剂的摄取量相对于卤桥二聚体的摩尔当量数为0至5，基于卤桥二聚体中过渡金属的摩尔量的添加盐的摩尔量为0至0.8，基于溶剂混合物的总体积的10体积％以下的增加卤桥二聚体在反应混合物中溶解度的溶解剂。
• [EN] PREPARATION OF HETEROLEPTIC METAL COMPLEXES<br/>[FR] PRÉPARATION DE COMPLEXES MÉTALLIQUES HÉTÉROLEPTIQUES
  申请人：SOLVAY

  公开号：WO2013098189A1

  公开（公告）日：2013-07-04

  A process for the manufacture of heteroleptic complexes of a transition metal M having the general formula [M(L)nL'] wherein M is Ir, Rh, Pt or Pd and n is 2 for M = Ir or Rh and n is 1 for M = Pt or Pd and L is a bidentate cyclometallated ligand coordinated to the metal M through covalent metal-C and dative donor-atom-metal bonds,by reacting a halo-bridged dimer of general formula [LnM(µ-X)2)MLn] with a bidentate ligand compound of formula L'-H or a halo-bridged dimer of general formula [L'nM(µ-X)2-ML'n] with a ligand compound of formula L-H where (µ-X) represents a bridging halide in a solvent mixture of an organic solvent and water comprising more than 25 vol% of water at a temperature of from 50 to 260°C in the presence of from 0 to 5 molar equivalents relative to the number of moles of halide X-ion introduced into the reaction mixture through the halo-bridged dimer of a scavenger for halide X-ion and in the presence of from 0 to 0.8 moles, based on the molar amount of transition metal in the halo-bridged dimer of an added salt and of from 0 to 10 vol%, based on the total volume of the solvent mixture, of a solubilisation agent increasing the solubility of the halo-bridged dimer in the reaction mixture.

  制备过渡金属M的杂配合物的方法，其化学式为[M(L)nL']，其中M是Ir、Rh、Pt或Pd，当M = Ir或Rh时，n为2，当M = Pt或Pd时，n为1，L是一个双齿环金属配体，通过共价金属-C和给体-金属键与金属M配位。该方法通过在有机溶剂和水的溶剂混合物中，水的体积比超过25％，在50℃至260℃的温度下，将一般式为[LnM(µ-X)2)MLn]的卤桥二聚体与化合物L'-H的双齿配体化合物或一般式为[L'nM(µ-X)2-ML'n]的卤桥二聚体与化合物L-H的配体化合物反应，其中(µ-X)代表桥联卤素。反应过程中，加入0至5摩尔当量的卤素X离子清除剂，以及基于卤桥二聚体中过渡金属的摩尔量，0至0.8摩尔的添加盐和0至10体积％的增溶剂，以提高卤桥二聚体在反应混合物中的溶解度。