2-(2-氨基苯基)-3,4-二甲基环戊-2-烯-1-酮 | 912675-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2-氨基苯基)-3,4-二甲基环戊-2-烯-1-酮
• 英文名称: 2-(2-aminophenyl)-3,4-dimethyl-2-cyclopentene-1-one
• 英文别名: 2-(2-amino)phenyl-3,4-dimethyl-2-cyclopenten-1-one；2-(2-aminophenyl)-3,4-dimethyl-2-cyclopenten-1-one；2-(2-Aminophenyl)-3,4-dimethylcyclopent-2-en-1-one
• CAS: 912675-91-3
• 化学式: C₁₃H₁₅NO
• 分子量: 201.268
• InChiKey: LAKPILVQPVPULO-UHFFFAOYSA-N

物化性质

• 沸点：
  375.7±42.0 °C(Predicted)
• 密度：
  1.112±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-氨基苯基)-3,4-二甲基环戊-2-烯-1-酮 在 吡啶 、 cerium(III) chloride 作用下， 以 苯 为溶剂， 反应 3.0h， 生成 1,1-diisopropyl-N-(2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)phenyl)phosphanamine
  参考文献：
  名称：

  Synthesis and structures of o-phenylene-bridged Cp/phosphinoamide titanium complexes

  摘要：

  Addition of (R2PCI)-P-' to anilines substituted with di- or trimethylcyclopentadienyl unit at ortho-position affords ortho-phenylenebridged Me2Cp or Me3Cp/phosophinoamide ligands, 2-(RMe2C5H2)C6H4NHPR'(2) (R=Me or H; R'=Ph, iPr, or Cyclohexyl). Successive addition of Ti(NMe2)(4) and Me2SiCl2 to the ligands affords the desired dichlorotitanium complexes, [2-(eta(5)-RMe2C5H)C6H4NPR'(2)-kappa N-2,P]TiC1(2) (R=H, R'=Ph, 9; R=Me, R'=Ph, 10; R=H, R'=iPr, 11; R=Me, R'=iPr, 12; R=H, R'=Cy, 13; R=Me, R'=Cy, 14). By using Zr(NMe2)(4) instead of Ti(NMe2)(4), a zirconium complex, [2-(eta(5)-Me3C5H)C6H4NP(iPr)(2)-kappa N-2,P]ZrC1(2) (15) is prepared. Molecular structures of 10, 14 and [2-(eta(5)-Me2C5H2)C6H4NPPh2-kappa N]Ti(NMe2)(2) (16) were determined. The metric parameters determined on the X-ray crystallographic studies and the chemical shifts of the P-31 NMR signal indicate that the phosphorous atom coordinates to the titanium in the dichloro-complexes 9-15. The titanium and zirconium complexes show negligible activity in ethylene and ethylene/l-hexene (co)polymerization when activated with MAO or iBu(3)Al/[Ph3C][B(C6F5)(4)]. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.010
• 作为产物：
  描述：

  (2,3-二甲基-5-氧代环戊烯-1-基)硼酸 、 2-溴苯胺 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 12.0h， 以87%的产率得到2-(2-氨基苯基)-3,4-二甲基环戊-2-烯-1-酮
  参考文献：
  名称：

  o-Phenylene-bridged Cp/sulfonamido titanium complexes for ethylene/1-octene copolymerization

  摘要：

  2-(二羟基硼基)-3,4-二甲基-2-环戊烯-1-酮(1)和2-(二羟基硼基)-3-甲基-2-环戊烯-1-酮(2)的Suzuki偶联反应2-溴苯胺衍生物提供环戊烯酮化合物 (3–8)，由环戊二烯化合物 4,6-R'2-2-(2,5-Me2C5H3)C6H2NH2 (9–11) 和 4,6-R'2-2制备-(2,3,5-Me3C5H2)C6H2NH2 (12–14)。用 p-TsCl 磺化 –NH2 基团后，通过连续添加 Ti(NMe2)4 和 Me2SiCl2 进行金属化，得到邻亚苯基桥联的 Cp/磺酰胺二氯化钛络合物，[4,6-R'2-2 -(2,5-Me2C5H2)C6H2NSO2C6H4CH3)]TiCl2 (R' = H, 21;R' = Me, 22;R' = F, 23) 和 [4,6-R'2-2-(2,3 ,5-Me3C5H)C6H2NSO2C6H4CH3)]TiCl2 (R' = H, 24;R' = Me, 25;R' = F, 26)。 24 和 [2-(2,5-Me2C5H2)C6H4NSO2C6H4CH3)]Ti(NMe2)2 (27) 的分子结构通过 X 射线晶体学测定。 24 中的 Cp(质心)-Ti-N 角 (100.90°) 比 CGC（约束几何催化剂）[Me2Si(η5-Me4Cp)(NtBu)]TiCl2 (107.6°) 观察到的更小，表明24 中的“受限特征”比 CGC 中的“受限特征”要多。在新制备的配合物中，配合物24在乙烯/1-辛烯共聚中表现出最高的活性，但在活性、共聚单体掺入能力和所得聚合物的分子量方面略逊于CGC。

  DOI：

  10.1039/b605345a

文献信息

• Transition Metal Complexes and Preparation Methods Thereof
  申请人：Lee Choong-Hoon

  公开号：US20090030221A1

  公开（公告）日：2009-01-29

  The present invention provides a novel mononuclear transition metal compound, a novel binuclear transition metal compound, a novel organic amine or phosphorous compound, and a method for preparing the same. The mononuclear transition metal compound according to the present invention is configured such that a cyclopentadienyl group and an amido or phosphorous group are bridged via a phenylene bridge. The binuclear transition metal compound according to the present invention is configured such that the two bridged mononuclear transition metal compounds configured such that a cyclopentadienyl group and an amido or phosphorous group are bridged via a phenylene bridge are linked via a bridging group located at the phenylene bridge. According to the present invention, the mononuclear transition metal compound, the binuclear transition metal compound, the organic amine or phosphorous compound can be prepared in a simple manner by using suzuki-coupling reaction with a high yield.

  本发明提供了一种新型的单核过渡金属化合物，一种新型的双核过渡金属化合物，一种新型的有机胺或磷化合物，以及其制备方法。根据本发明，所述单核过渡金属化合物的结构是通过苯桥连接环戊二烯基团和氨基或磷基团。根据本发明，所述双核过渡金属化合物的结构是通过位于苯桥处的桥接基团连接两个通过苯桥连接环戊二烯基团和氨基或磷基团的单核过渡金属化合物。根据本发明，通过使用高产率的铃木偶联反应，可以简单地制备单核过渡金属化合物、双核过渡金属化合物和有机胺或磷化合物。
• Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions
  申请人：Lee Hoon Choong

  公开号：US20070010638A1

  公开（公告）日：2007-01-11

  Provided are a novel transition metal complex where a monocyclopentadienyl ligand to which an amine-based group is introduced is coordinated, a method of synthesizing the same, and olefin polymerization using the transition metal complex In the novel transition metal complex, an imino phenyl group is not cross-linked to a metal atom and directly introduced to a cyclopentadiene (Cp) ring. The catalyst composition including the transition metal compound is used to obtain a polyolefin copolymer having a very low density less than 0.910 g/cc.

  提供了一种新型过渡金属配合物，其中包括一个单环戊二烯基配体，该配体引入了一种胺基团，并且还提供了一种合成该配合物的方法，以及使用该过渡金属配合物进行烯烃聚合的方法。在这种新型过渡金属配合物中，亚胺苯基团未与金属原子发生交联，而是直接引入到环戊二烯（Cp）环中。包含过渡金属化合物的催化剂组合物用于获得密度低于0.910克/立方厘米的聚烯烃共聚物。
• Catalyst Composition Comprising Group 4 Transition Metal Complexes and Method for Preparing Polyolefins Using the Same
  申请人：Lee Choong-Hoon

  公开号：US20090005525A1

  公开（公告）日：2009-01-01

  The present invention relates to a catalyst composition comprising a novel structure of a Group 4 transition metal compound, to a method for preparing the same, and to a method for preparing a polyolefin using the catalyst composition. The method for preparing a polyolefin according to the present invention can be used for preparing a polyolefin having a high molecular weight and high copolymerizability with a high activity even at a high polymerization temperature and for preparing a polyolefin having a double composition distribution.

  本发明涉及一种催化剂组合物，包括一种新型的第四族过渡金属化合物的结构，以及制备该催化剂组合物的方法和使用该催化剂组合物制备聚烯烃的方法。根据本发明的制备聚烯烃的方法可以用于制备具有高分子量和高共聚性的聚烯烃，即使在高聚合温度下也具有高活性，并用于制备具有双组分分布的聚烯烃。
• TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS
  申请人：LEE Choong Hoon

  公开号：US20090209712A1

  公开（公告）日：2009-08-20

  Provided are a novel transition metal complex where a monocyclopentadienyl ligand to which an amido or alcoxy group is introduced is coordinated, a method of synthesizing the same, and olefin polymerization using the transition metal complex. Compared to a conventional transition metal complex having a silicon bridge and an oxido ligand, the transition metal complex has a phenylene bridge, so that a monomer easily approaches the transition metal complex in terms of structure and a pentagon ring structure of the transition metal complex is stably maintained. The catalyst composition including the transition metal complex is used to synthesize a polyolefin copolymer having a very low density less than 0.910 g/cc.

  提供了一种新型的过渡金属配合物，其中配位了一种引入了氨基或醇氧基的单环戊二烯基配体，以及一种合成该配合物的方法和使用该过渡金属配合物进行烯烃聚合的方法。与具有硅桥和氧配体的传统过渡金属配合物相比，该过渡金属配合物具有苯乙烯桥，因此单体在结构上更容易接近过渡金属配合物，并且过渡金属配合物的五边形环结构得到稳定维持。包括该过渡金属配合物的催化剂组合物用于合成密度小于0.910 g/cc的超低密度聚烯烃共聚物。
• CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME
  申请人：LG Chem. Ltd.

  公开号：EP1966223A1

  公开（公告）日：2008-09-10