2-甲基苯并[E]茚(1H-和3H-型的混合物) | 150096-60-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-甲基苯并[E]茚(1H-和3H-型的混合物)
• 中文别名: 2-甲基苯并[e]茚；2-甲基苯并[E]茚
• 英文名称: 2-methylbenz[e]indene
• 英文别名: 2-methylbenzindene；2-methylbenzo[e]indene；2-methyl-4,5-benzindene；2-methyl-1H-benz[e]indene；2-methyl-3H-benz[e]indene；2-methyl-4,5-benzoindene；2-Methyl-3H-cyclopenta[a]naphthalene
• CAS: 150096-60-9
• 化学式: C₁₄H₁₂
• 分子量: 180.249
• InChiKey: BPGQLRATYHGTEK-UHFFFAOYSA-N

物化性质

• 沸点：
  320.8±17.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2902909090
• 储存条件：
  存放在2-8℃环境中，应保持干燥并密封保存。

反应信息

• 作为反应物：
  描述：

  2-甲基苯并[E]茚(1H-和3H-型的混合物) 在 正己基锂 作用下， 以 乙醚 为溶剂， 反应 1.5h， 生成 tert-Butyl-[dimethyl-(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)-silanyl]-amine
  参考文献：
  名称：

  Indenyl-amido titanium and zirconium dimethyl complexes: improved synthesis and use in propylene polymerization

  摘要：

  The synthesis of a series of indenyl amido titanium dimethyl complexes, by means of the direct synthesis from the ligand, a 2-fold excess of MeLi, and TiCl4 is reported. The H-1 NMR spectra of the complexes show a quartet structure for the metal-bound methyl groups, due to through-metal proton-proton coupling. Coupling of Ti-methyl protons with protons on the Cp ring is also revealed by COSY 2D-NMR. The performance of the Ti complexes in propylene polymerization, including [Me2Si(Me4C5)(t-BuN)]TiMe2 (1-TiMe2), [Me2Si(Ind)(t-BuN)]TiMe2 (2-TiMe2) and six other methyl titanium complexes bearing substituted indenyl ligands, has been investigated with different cocatalysts and at different polymerization temperatures and propylene concentrations. All complexes produce amorphous polypropylene (am-PP). The catalytic activity and molecular weight strongly depend on the substitution of the Cp ring: 2-TiMe2 gives polymers of lower molecular weight, while the presence of a methyl group in position 2 (as in 3-TiMe2) determines up to 4-fold increase in molecular weight. The type of cocatalyst influences mainly the catalytic activity, the borates being better activators than MAO, but also molecular weight, with again the borates giving higher molecular weights than MAO. 5-TiMe2-Ph3CB(C6F5)(4) shows an overall activation energy of polymerization of 7.35 kcal mol(-1). The rate of chain release is first order in monomer. The following activation energies for overall chain release have been calculated: DeltaDeltaE(double dagger) 2-TiMe2 = 3.4 kcal mol(-1), DeltaDeltaE(double dagger) 5-TiMe2 = 3.8 kcal mol(-1), AAET 3-TiMe2 = 6.3 kcal mol(-1). Even if all the polymers produced are amorphous, 2-TiMe2 and 5-TiMe2 show a microstructure unbalanced towards isotacticity, while 3-TiMe2, 6-TiMe2 and 8-TiMe2 are syndiotactic-enriched. Chiral induction comes mainly from a weak enantiomorphic site control. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01853-3
• 作为产物：
  描述：

  2-甲基-2,3-二氢-1H-环戊并[a]萘-1-酮 在 lithium aluminium tetrahydride 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 2-甲基苯并[E]茚(1H-和3H-型的混合物)
  参考文献：
  名称：

  用高活性“双侧”锆茂催化剂控制立体误差的形成：一种设计热塑性弹性聚丙烯性能的新策略

  摘要：

  新的 C1-对称配合物 rac-[1-(9-η5-芴基)-2-(2-methylbenz[e]-1-η5-indenyl)ethane] 二氯化锆 (14a), rac-[1-(9 -η5-芴基)-2-(4,5-环己-2-甲基-1-η5-茚基)乙烷]二氯化锆(14b)和外消旋-[1-(9-η5-芴基)-2-( 5,6-环戊-2-甲基-1-η5-茚基)乙烷]二氯化锆(15)的制备产率高达93%。这些用甲基铝氧烷活化的化合物表现出高活性丙烯聚合速率，即使在 50 和 70 °C 的升高聚合温度下，也能在数小时内保持恒定。这些“双侧”催化剂的两个不同配位点导致等规聚丙烯具有不同数量的立体误差，具体取决于单体浓度。茚基配体的 2-甲基取代基同时产生，

  DOI：

  10.1021/ja9833220

文献信息

• 신규 전이금속 화합물 및 이를 이용한 폴리에틸렌의 제조방법
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20210020424A

  公开（公告）日：2021-02-24

  본 발명에서는 우수한 담지 안정성과 함께 높은 촉매 활성을 나타내며, 중분자량 및 고분자량 영역대의 중합체 제조에 유리하며, 분자량 분포가 좁은 폴리에틸렌의 제조에 유용한 신규 전이금속 화합물, 및 이를 이용한 폴리에틸렌의 제조방법이 제공된다.

  本发明展示了一种具有优异支撑稳定性和高催化活性的新型过渡金属化合物，有利于高分子量和低分子量范围内的聚合物制备，并可用于制备分子量分布窄的聚乙烯的方法。
• Metallocene compounds, catalysts comprising them, process for producing an olefin polymer by use of the catalysts, and olefin homo- and copolymers
  申请人：Lammus Novolen Technology GmbH

  公开号：US08299287B2

  公开（公告）日：2012-10-30

  Certain metallocene compounds are provided that, when used as a component in a supported polymerization catalyst under industrially relevant polymerization conditions, afford high molar mass homo polymers or copolymers like polypropylene or propylene/ethylene copolymers without the need for any α-branched substituent in either of the two available 2-positions of the indenyl ligands. The substituent in the 2-position of one indenyl ligand can be any radical comprising hydrogen, methyl, or any other C2-C40 hydrocarbon which is not branched in the α-position, and the substituent in the 2-position of the other indenyl ligand can be any C4-C40 hydrocarbon radical with the proviso that this hydrocarbon radical is branched in the β-position. This metallocene topology affords high melting point, very high molar mass homo polypropylene and very high molar mass propylene-based copolymers. The activity/productivity levels of catalysts including the metallocenes of the present invention are exceptionally high.

  提供了某些茂金属化合物，当作为支持的聚合催化剂中的一个组分，在工业相关的聚合条件下使用时，能够生成高摩尔质量的同聚物或共聚物，如聚丙烯或丙烯/乙烯共聚物，而无需在茂环配体的两个可用2位点中的任一位置上具有任何α-支链取代基。一个茂环配体的2位点上的取代基可以是包含氢、甲基或其他未在α-位置上支链化的任何C2-C40碳氢化合物的任何基团，另一个茂环配体的2位点上的取代基可以是在β-位置上支链化的任何C4-C40碳氢化合物基团，前提是这个碳氢化合物基团在β-位置上支链化。这种茂金属化合物拓扑结构提供了高熔点、非常高摩尔质量的同聚丙烯和非常高摩尔质量的基于丙烯的共聚物。包括本发明的茂金属化合物在内的催化剂的活性/生产率水平异常高。
• METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO-AND COPOLYMERS
  申请人：Dimeska Anita

  公开号：US20100267907A1

  公开（公告）日：2010-10-21

  Certain metallocene compounds are provided that, when used as a component in a supported polymerization catalyst under industrially relevant polymerization conditions, afford high molar mass homo polymers or copolymers like polypropylene or propylene/ethylene copolymers without the need for any α-branched substituent in either of the two available 2-positions of the indenyl ligands. The substituent in the 2-position of one indenyl ligand can be any radical comprising hydrogen, methyl, or any other C 2 -C 40 hydrocarbon which is not branched in the α-position, and the substituent in the 2-position of the other indenyl ligand can be any C 4 -C 40 hydrocarbon radical with the proviso that this hydrocarbon radical is branched in the β-position. This metallocene topology affords high melting point, very high molar mass homo polypropylene and very high molar mass propylene-based copolymers. The activity/productivity levels of catalysts including the metallocenes of the present invention are exceptionally high.

  提供了某些茂金属化合物，当作为支持聚合催化剂的组分在工业相关的聚合条件下使用时，可以制备高摩尔质量的同聚物或共聚物，如聚丙烯或丙烯/乙烯共聚物，而不需要在茂基配体的两个可用的2位点中的任何一个中具有α-支链取代基。一个茂基配体的2位点的取代基可以是包含氢、甲基或其他未在α位点支链化的碳2-40烃基的任何基团，另一个茂基配体的2位点的取代基可以是具有碳4-40的烃基，但要求这个烃基在β位点支链化。这种茂金属烯拓扑结构提供了高熔点、非常高摩尔质量的同聚丙烯和非常高摩尔质量的基于丙烯的共聚物。包括本发明的茂金属烯在内的催化剂的活性/生产能力水平异常高。
• Process for preparing 1-indanones
  申请人：——

  公开号：US20020077507A1

  公开（公告）日：2002-06-20

  The present invention relates to a process for preparing 1-indanones of formula I: 1 and isomers thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 independently represent H or a C 1 -C 20 hydrocarbon group or R 1 and R 2 or R 2 and R 3 or R 3 and R 4 and/or R 5 and R 6 together with the carbon atoms to which they are attached form a saturated or unsaturated 5- or 6-membered ring, said hydrocarbon group and/or said ring optionally containing one or more hetero atoms, said ring optionally being substituted with a C 1 -C 4 hydrocarbon group, said process comprising reacting a compound of formula II: 2 wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 have the same meaning as defined above, with a chlorinating agent, followed by reaction with a Friedel-Crafts catalyst. The invention further relates to the preparation of the corresponding indenes.

  本发明涉及一种制备式I的1-吲哚酮的方法：其中R1、R2、R3、R4、R5和R6独立地代表H或C1-C20烃基或R1和R2或R2和R3或R3和R4和/或R5和R6与它们连接的碳原子一起形成饱和或不饱和的5-或6-成员环，所述烃基和/或所述环可选择地含有一个或多个杂原子，所述环可选择地被C1-C4烃基取代，所述方法包括将式II的化合物与氯化剂反应，然后与弗里德尔-克拉夫茨催化剂反应。该发明还涉及相应吲哚烯的制备。
• 遷移金属化合物、オレフィン重合用触媒およびオレフィン重合体の製造方法
  申请人：三井化学株式会社

  公开号：JP2017145209A

  公开（公告）日：2017-08-24

  【課題】優れたオレフィンの重合活性及び共重合性を有し、制御された高いコモノマー含量のポリエチレンを高率良く、高い生産性で製造できるオレフィン重合用触媒の活性成分となる新規な遷移金属化合物の提供。【解決手段】下式（１）で示されるＳｉ架橋ジルコノセンに代表される遷移金属化合物。（ＭはＴｉ、Ｚｒ又はＨｆ）【選択図】なし

  【问题】提供一种新型过渡金属化合物，作为具有优异烯烃聚合活性和共聚活性的烯烃聚合催化剂的活性成分，可高效，高产地制造出具有可控高共聚单体含量的聚乙烯。 【解决方案】所述过渡金属化合物以Si桥联的二茂铁为代表，如式（1）所示。（其中，M为Ti、Zr或Hf）【选择图】无

表征谱图