2-(diphenyl(1H-pyrrol-2-yl)methyl)-1-methyl-1H-pyrrole | 906749-08-4

• 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-(diphenyl(1H-pyrrol-2-yl)methyl)-1-methyl-1H-pyrrole
• 英文别名: 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1-methylpyrrole
• CAS: 906749-08-4
• 化学式: C₂₂H₂₀N₂
• 分子量: 312.414
• InChiKey: VFGDQFOMYWUDMU-UHFFFAOYSA-N

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：
  0.09
• 拓扑面积：
  20.7
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2-(diphenyl(1H-pyrrol-2-yl)methyl)-1-methyl-1H-pyrrole 、 [(2,5-[(C4H3N)CPh2]2[C4H2N(Me)])ThCl2(THF)]*THF 在 KH 作用下， 以 乙二醇二甲醚 为溶剂， 以80%的产率得到(2,5-[(C4H3N)CPh2]2[C4H2N(Me)])ThCl(2-(diphenyl(1H-pyrrol-2-yl)methyl)-1-methyl-1H-pyrrole(-1H))
  参考文献：
  名称：

  瞬时减少的Thor物种的开环与C-O和C-N键断裂

  摘要：

  三吡咯化物二价阴离子2的四价络合物[{2,5-[（C 4 H 3 N）CPh 2 ] 2 [C 4 H 2 N（Me）]} ThCl 2（THF）] THF（2）的还原取决于反应条件，1,2,5 -[（C 4 H 3 N）CPh 2 ] 2 C 4 H 2 N（Me）提供不同的产物。在每种情况下，反应都是通过最初形成还原的物种而进行的，这是由暗红色的快速形成，然后缓慢而完全的变色所表明的。在减少甲苯的情况下，络合物（{2,5-[（C 4H 3 N）CPh 2 ] 2 [C 4 H 2 N]} 2 Th [K（甲苯）] 2）·1.5（甲苯）（3a）和{2,5-[（C 4 H 3 N）CPh 2取决于结晶溶剂（甲苯对DME），得到] 2 [C 4 H 2 N]} 2 Th [K（DME）] 2（3b）。在这两种情况下，产物都是由于连接在中心吡咯环N原子上的甲基的损失而产生的。当在DME作为溶剂进行还原时，络合物{[{2

  DOI：

  10.1021/om060454q

文献信息

• Effect of Cocatalysts and Solvent on Selective Ethylene Oligomerization
  作者：Shaneesh Vadake Kulangara、Daniel Haveman、Bala Vidjayacoumar、Ilia Korobkov、Sandro Gambarotta、Rob Duchateau

  DOI：10.1021/om501013m

  日期：2015.4.13

  Ethylene oligomerization activities of chromium catalysts stabilized by different dipyrrole-based ancillary ligands, [(Ph2C(C4H4N)(2))] (2), [Ph2C(C4H4N)(C5H6N)] (3), [(Et)(2)C(C4H4N)(2)] (4), and [(C6H5)(C5H4N)C(C4H4N)(C5H6N)] (5), have been investigated using different activation methods, and the results have been compared with the commercial Chevron-Phillips ethylene trimerization system. Upon activation with triethylaluminum (TEA), chromium catalysts stabilized by dipyrrole-based ligands 25 showed a lower activity and selectivity compared to the ChevronPhillips trimerization system based on 2,5-dimethylpyrrole (1) as the ancillary ligand. However, unprecedented increases in both activity and selectivity have been observed by carrying out the oligomerization in methylcyclohexane using depleted-methylaluminoxane (DMAO) along with triisobutylaluminum (TIBA) (1:2 ratio) as cocatalyst system under mild conditions, even for the Chevron-Phillips system itself. Well-defined chromium complexes, [(Ph2C(C4H3N)(2))Cr(Cl)(THF)(3)] (6) and [Ph2C(C4H3N)(C5H6N]Cr(THF)(mu-Cl)}(2) (7), have been synthesized and fully characterized. Upon activating with MAO, catalyst 7 produced a statistical distribution of oligomers, whereas under identical oligomerization conditions catalyst 6/MAO was found to be inactive. The use of MeAlCl2 as cocatalyst to activate 7 resulted in the switching of the catalysts behavior from producing a statistical distribution of LAOs to the selective trimerization of ethylene to 1-hexene. The addition of dialkylzinc along with MAO resulted in an unprecedented activity increase.
• [EN] PROCESS FOR PRODUCING AN OLIGO(ALPHA-OLEFIN) AND THE USE OF A PARTICULAR FORM OF METHYLALUMINOXANE IN SUCH PROCESS<br/>[FR] PROCÉDÉ DE PRODUCTION D'UNE OLIGO(ALPHA-OLÉFINE) ET UTILISATION D'UNE FORME PARTICULIÈRE DE MÉTHYLALUMINOXANE DANS UN TEL PROCÉDÉ
  申请人：STICHTING DUTCH POLYMER INST

  公开号：WO2014069989A1

  公开（公告）日：2014-05-08

  The invention relates to a process for producing an oligo(alpha-olefin), comprising preparing a mixture of at least a chromium complex comprising one or more ligands comprising a deprotonated pyrrole moiety; methylaluminoxane; an aluminum alkyl compound; an alpha-olefin; and a solvent; wherein the methylaluminoxane is a substance that is obtained by removing essentially all volatiles from a mixture that is obtained when trimethylaluminum is partly · hydrolyzed in a solvent.
• Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species
  作者：Athimoolam Arunachalampillai、Patrick Crewdson、Ilia Korobkov、Sandro Gambarotta

  DOI：10.1021/om060454q

  日期：2006.7.1

  the products arose from a loss of the methyl group attached to the central pyrrole ring N atom. When the reduction was carried out in DME as a solvent, the complex [2,5-[(C4H3N)CPh2]2[C4H2N(Me)]}Th(OMe)]2(m-OC2H4OMe)2}· 0.75(hexane) (5) was isolated. This species is derived from two different pathways of C−O cleavage of the DME solvent. Reduction of 2,5-[(C4H3N)CPh2]2[C4H2N(Me)]}ThCl(C4H3N)CPh2[C4H3N(Me)]}

  三吡咯化物二价阴离子2的四价络合物[2,5-[（C 4 H 3 N）CPh 2 ] 2 [C 4 H 2 N（Me）]} ThCl 2（THF）] THF（2）的还原取决于反应条件，1,2,5 -[（C 4 H 3 N）CPh 2 ] 2 C 4 H 2 N（Me）提供不同的产物。在每种情况下，反应都是通过最初形成还原的物种而进行的，这是由暗红色的快速形成，然后缓慢而完全的变色所表明的。在减少甲苯的情况下，络合物（2,5-[（C 4H 3 N）CPh 2 ] 2 [C 4 H 2 N]} 2 Th [K（甲苯）] 2）·1.5（甲苯）（3a）和2,5-[（C 4 H 3 N）CPh 2取决于结晶溶剂（甲苯对DME），得到] 2 [C 4 H 2 N]} 2 Th [K（DME）] 2（3b）。在这两种情况下，产物都是由于连接在中心吡咯环N原子上的甲基的损失而产生的。当在DME作为溶剂进行还原时，络合物[2