(diphenyl)phosphorous-nitrogen(cyclopentyl)phosphorous(diphenyl)

• 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: (diphenyl)phosphorous-nitrogen(cyclopentyl)phosphorous(diphenyl)
• 英文别名: (diphenyl)phosphonitryl(cyclopentyl)phosphine(diphenyl)；N,N-Bis(diphenylphosphanyl)cyclopentanamine；N,N-bis(diphenylphosphanyl)cyclopentanamine
• 化学式: C₂₉H₂₉NP₂
• 分子量: 453.503
• InChiKey: XVTIKAAAUUHQIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二苯基氯化膦 、 环戊胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.5h， 以32.68%的产率得到(diphenyl)phosphorous-nitrogen(cyclopentyl)phosphorous(diphenyl)
  参考文献：
  名称：

  Catalyst for Synthesizing 1-Hexene from Ethylene Trimerization and Application Thereof

  摘要：

  提供了从乙烯三聚合合成1-己烯的催化剂及其应用。所述催化剂包括（a）含有P和N的化合物，（b）电子给体，（c）Cr化合物，（d）载体和（e）加速剂。 （a），（b），（c），（d）和（e）的摩尔比为0.5-100：0.5-100：1：0.5-10：50-5000。通过在乙烯三聚合装置中原位混合（a）-（e）的组分，并持续向装置中引入乙烯来制备催化剂。制备好的催化剂可用于在惰性溶剂中从乙烯三聚合合成1-己烯。三聚合在30-150°C和0.5-10.0 MPa下进行，时间为0.1-4小时。该催化剂具有高催化活性和高1-己烯选择性。在乙烯三聚合过程中，副产物聚乙烯不会附着在设备上。

  公开号：

  US20120310025A1

文献信息

• Catalyst for Synthesizing 1-Hexene from Ethylene Trimerization and Application Thereof
  申请人：Wang Gang

  公开号：US20120310025A1

  公开（公告）日：2012-12-06

  A catalyst for synthesizing 1-hexene from ethylene trimerization and its application are provided. Said catalyst consists of (a) the compound containing P and N, (b) electron donor, (c) Cr compound, (d) carrier and (e) accelerator. The molar ratio of (a), (b), (c), (d) and (e) is 0.5-100:0.5-100:1:0.5-10:50-5000. The catalyst is prepared by mixing the components of (a)-(e) in an ethylene trimerization apparatus in situ and ethylene is introduced into the apparatus continuously. The prepared catalyst can be used to synthesize 1-hexene from ethylene trimerization in the inert solvents. The trimerization is performed at 30-150° C. and 0.5-10.0 MPa for 0.1-4 hours. The catalyst has high catalytic activity and high 1-hexene selectivity. During the process of ethylene trimerization, by-product polyethylene does not stick to the apparatus.

  提供了从乙烯三聚合合成1-己烯的催化剂及其应用。所述催化剂包括（a）含有P和N的化合物，（b）电子给体，（c）Cr化合物，（d）载体和（e）加速剂。 （a），（b），（c），（d）和（e）的摩尔比为0.5-100：0.5-100：1：0.5-10：50-5000。通过在乙烯三聚合装置中原位混合（a）-（e）的组分，并持续向装置中引入乙烯来制备催化剂。制备好的催化剂可用于在惰性溶剂中从乙烯三聚合合成1-己烯。三聚合在30-150°C和0.5-10.0 MPa下进行，时间为0.1-4小时。该催化剂具有高催化活性和高1-己烯选择性。在乙烯三聚合过程中，副产物聚乙烯不会附着在设备上。
• Catalyst composition for ethylene oligomerization and the use thereof
  申请人：Petrochina Company Limited

  公开号：US07786336B2

  公开（公告）日：2010-08-31

  The present invention relates to a catalyst composition for ethylene oligomerization and the use thereof. Such catalyst composition includes chromium compound, ligand containing P and N, activator and accelerator; wherein the chromium compound is selected from the group consisting of acetyl acetone chromium, THF-chromium chloride and Cr(2-ethylhecanoate)3; general formula of the ligand containing P and N is shown as: in which R1, R2, R3 and R4 are phenyl, benzyl, or naphthyl. R5 is isopropyl, butyl, cyclopropyl, cyclopentyl, cyclohexyl or fluorenyl; the activatior is methyl aluminoxane, ethyl aluminoxane, propyl aluminoxane and/or butyl aluminoxane; the accelerator is selected from the group consisting of 1,1,2,2,-tetrachloroethane, 1,1,2,2-tetrabromoethane, 1,1,2,2-tetrafluoroethane, and compounds having a formula of X1R6X2, in which X1 and X2 are F, Cl, Br, I or alkoxyl, R6 is alkylene or arylene group; the molar ratio of chromium compound, ligand containing P and N, activator and accelerator is 1:0.5˜10:50˜3000:0.5˜10. After mixing the four components mentioned previously under nitrogen atmosphere for 10 minutes, they are incorporated to the reactor, or these four components are incorporated directly into the reactor. Then ethylene is introduced for oligomerization. Such catalyst can be used in producing 1-octene through ethylene oligomerization. It is advantageous in high catalysing activity, high 1-octene selectivity, etc. The catalytic activity is more than 1.0×106 g product·ma−1 Cr·h−1, the fraction of C8 linear α-olefin is more than 70% by mass.

  本发明涉及一种用于乙烯寡聚的催化剂组合物及其使用。该催化剂组合物包括铬化合物、含有P和N的配体、活性剂和加速剂；其中，铬化合物选自乙酰丙酮铬、THF-氯化铬和Cr（2-乙基庚酸）3等组中；含有P和N的配体的通用公式如下：其中，R1、R2、R3和R4为苯基、苄基或萘基。R5为异丙基、丁基、环丙基、环戊基、环己基或芴基；活化剂为甲基铝氧烷、乙基铝氧烷、丙基铝氧烷和/或丁基铝氧烷；加速剂选自1,1,2,2-四氯乙烷、1,1,2,2-四溴乙烷、1,1,2,2-四氟乙烷和具有X1R6X2公式的化合物，其中X1和X2为F、Cl、Br、I或烷氧基，R6为烷基或芳基；铬化合物、含有P和N的配体、活性剂和加速剂的摩尔比为1:0.5~10:50~3000:0.5~10。在氮气氛下混合前述四种组分10分钟后，它们被加入反应器，或者这四种组分直接被加入反应器。然后引入乙烯进行寡聚化反应。这种催化剂可用于通过乙烯寡聚生产1-辛烯。它具有高催化活性、高1-辛烯选择性等优点。催化活性大于1.0×106 g产物·ma−1 Cr·h−1，C8直链α-烯烃的质量分数大于70%。
• N-substituted diphosphinoamines: Toward rational ligand design for the efficient tetramerization of ethylene
  作者：S KUHLMANN、K BLANN、A BOLLMANN、J DIXON、E KILLIAN、M MAUMELA、H MAUMELA、D MORGAN、M PRETORIUS、N TACCARDI

  DOI：10.1016/j.jcat.2006.10.020

  日期：2007.1.25

  Bis(diphenylphosphino)amine (PNP) ligands with different alkyl and cycloalkyl substituents attached to the N atom of the ligand backbone were synthesised and tested together with chromium as ethylene tetramerization catalysts. On activation with a methylaluminoxane-based activator, the catalysts displayed good activity and selectivity toward 1-octene and 1-hexene, with the best ligand systems containing cyclopentyl or cyclohexyl moieties. In addition, it was established that substitution at the 2 position of the cyclohexyl skeleton and, more importantly, an increase in steric bulk at that point, led to a drastic reduction of side product formation (i.e., methyl- and methylenecyclopentane). Interestingly, additional methyl substitution in the 6 position of the cyclohexyl ring changed the selectivity of the catalyst from predominantly tetramerization to a 1:1 mixture of 1-hexene and 1-octene. Structurally similar ligands, such as cyclohexylmethyl and cyclohexylethyl PNP, were also tested and were also found to yield efficient tetramerization catalysts. It was concluded that structural fine tuning of the N-alkyl moiety of the PNP ligand is essential for obtaining efficient tetramerization catalysts, with the best systems achieving combined selectivities as high as 88% (1-octene and 1-hexene) with exceptionally high activities exceeding 2,000,000 g/(g-Crh). (c) 2006 Elsevier Inc. All rights reserved.