[2-(3-pyrazolyl)phenyl]diphenylphosphine | 877129-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-(3-pyrazolyl)phenyl]diphenylphosphine
• 英文别名: 5-[2-(Diphenylphosphanyl)phenyl]-1H-pyrazole；diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane
• CAS: 877129-21-0
• 化学式: C₂₁H₁₇N₂P
• 分子量: 328.353
• InChiKey: HMMSIADJAUBCEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  518.7±33.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [2-(3-pyrazolyl)phenyl]diphenylphosphine 在 sulfur 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以76%的产率得到[2-(3-pyrazolyl)phenyl]diphenylphosphine sulfide
  参考文献：
  名称：

  含吡唑的N，P和N，P（O）配体对钯（II）的可变配位行为。

  摘要：

  合成了3个基于在一个苯环的邻位带有吡唑基的三苯基膦单元的二齿混合供体配体。N，P配体[2-（3-吡唑基）苯基]二苯基膦膦酸酯已合成并转化为新的N，P（O）和N，P（S）衍生物，[2-（3-吡唑基）苯基]二苯基膦氧化物pzphos（O）和[2-（3-吡唑基）苯基]二苯基膦硫化物pzphos（S）。研究了对膦和对膦对钯（II）的配位化学。取决于钯（II）与pzphos反应中使用的配体与金属的摩尔比，是1：1螯合物[Pd（pzphos）Cl2] 1a还是2：1 N，P螯合物[Pd（pzphos）2]获得Cl 2 1b。1b包含两个六元螯合环，其中的氯化物已从钯的内部配位球中移出。用AgClO4将1b中的氯离子交换为高氯酸根，得到[Pd（pzphos）2] [ClO4] 2 1c。在相同条件下，pzphos（O）的反应会形成2：1加合物[Pd（pzphos（O））2Cl2] 2b，而与金属与配体的

  DOI：

  10.1039/b704051b
• 作为产物：
  描述：

  2-(2-溴苯基)-2-甲基-1,3-二氧戊环 在 对甲苯磺酸 、 一水合肼 、 magnesium 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 2.0h， 生成 [2-(3-pyrazolyl)phenyl]diphenylphosphine
  参考文献：
  名称：

  Novel phosphine ligands bearing 3(5)-pyrazolyl and 4-(2-amino)pyrimidinyl groups: Synthesis and coordination chemistry

  摘要：

  Novel triphenyl phosphine ligands bearing pyrazole or 2-aminopyrimidine groups in the ortho or meta position of one or three of the phenyl rings were obtained starting from the corresponding acyl derivatives Ph2P(o-C6H4-COCH3), Ph2P(m-C6H4-COCH3), Or P(m-C6H4-COCH3)(3)- Conversion of the acyl groups into 3-dimethylamino-2-propen-l-onyl units was achieved by reaction with HC(O-Me)(2)NMe2 which underwent ring closing with hydrazine or guanidine to yield the desired heterocycles. Two palladium complexes were synthesized using the coordinatively labile precursor (PhCN)(2)PdCl2, one of them could be characterized by X-ray structure analysis. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.08.032

文献信息

• Gold(<scp>i</scp>) complexes with heteroaryl phosphine ligands
  作者：Christian Sarcher、Saeid Farsadpour、Leila Taghizadeh Ghoochany、Yu Sun、Werner R. Thiel、Peter W. Roesky

  DOI：10.1039/c3dt52893f

  日期：——

  Gold(I) complexes ligated by phosphines with N-heterocycles in the periphery were prepared. First the synthesis of the ligands N-(diphenylphosphino)-4-(pyridin-2-yl)pyrimidin-2-amine (Hpypya) and N-(diphenylphosphino)-4-phenylpyrimidin-2-amine (Hphpya) are reported. These two compounds together with the related but earlier published ligands 3-(2-(diphenylphosphino)phenyl)-1H-pyrazole (Hph3py) and 5-(4-(diphenylphosphino)phenyl)-1H-pyrazole (Hph5py) were reacted with [(tht)AuCl] and [Au(tht)2]ClO4 to give the heteroleptic complexes [(L)AuCl] and the homoleptic compounds [(L)2Au]ClO4 (L = Hpypya, Hphpya, Hph3py, and Hph5py). Single crystal X-ray diffraction studies revealed that the heteroleptic complexes form hydrogen bonds between two N-heterocycles of neighboring complexes resulting in dimeric structures. The homoleptic complexes show a different behavior.

  合成了由磷配体与外围N-杂环配位的金(I)复合物。首先报告了配体N-(二苯基膦)-4-(吡啶-2-基)嘧啶-2-胺（Hpypya）和N-(二苯基膦)-4-苯基嘧啶-2-胺（Hphpya）的合成。这两种化合物与相关的、但是早期已发表的配体3-(2-(二苯基膦)苯基)-1H-吡唑（Hph3py）和5-(4-(二苯基膦)苯基)-1H-吡唑（Hph5py）反应，得到异配位复合物[(L)AuCl]和同配位化合物[(L)2Au]ClO4（其中L = Hpypya, Hphpya, Hph3py, Hph5py）。单晶X射线衍射研究表明，异配位复合物在相邻配合物的两个N-杂环之间形成氢键，导致二聚体结构。相比之下，同配位化合物表现出不同的行为。
• Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method
  申请人：Thiel Werner

  公开号：US20080221335A1

  公开（公告）日：2008-09-11

  The invention relates to a method for the manufacture of substituted phosphanes and substituted phosphanes manufactured according to the method. Phosphanes, phosphane oxides, sulfides or selenides are used as ligands in coordination compounds. They play a central role in controlling the activity and selectivity of catalysts. The object is achieved by the invention by synthesizing heterocyclic substituents on aromatic groups by introducing acetyl groups. In this manner, previously unknown representatives of the families of phosphanes, phosphane oxides, sulfides and selenides are made accessible.

  本发明涉及一种制造取代膦和按照该方法制造的取代膦的方法。在配位化合物中，膦、膦氧化物、硫化物或硒化物被用作配体。它们在控制催化剂的活性和选择性方面起着核心作用。本发明通过在芳香族基团上引入乙酰基合成杂环取代基，从而实现了该目标。通过这种方法，膦、膦氧化物、硫化物和硒化物的新的未知代表得以获得。
• WO2006/45272
  申请人：——

  公开号：——

  公开（公告）日：——
• A tandem and tunable Pd catalyzed C–N coupling of heteroarenols with ureas via C–OH bond activation
  作者：Jignesh P. Dalvadi、Poojan K. Patel、Kishor H. Chikhalia

  DOI：10.1016/j.tet.2014.10.036

  日期：2014.12

  At this circumstance for the first time, a facile and convenient method for heteroaryl ureas has been developed via a two-step process involving in situ C-OH activation followed by palladium catalyzed C-N coupling of heteroarenols with ureas, which show excellent functional group tolerance and give out rapid coupling in good to excellent yield. (C) 2014 Elsevier Ltd. All rights reserved.
• VERFAHREN ZUR HERSTELLUNG SUBSTITUIERTER PHOSPHANE
  申请人：Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG

  公开号：EP1805193B1

  公开（公告）日：2010-12-29