1-(1H-inden-2-yl)-1H-pyrrole | 869063-56-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1-(1H-inden-2-yl)-1H-pyrrole
• 英文别名: 1-(1H-inden-2-yl)pyrrole
• CAS: 869063-56-9
• 化学式: C₁₃H₁₁N
• 分子量: 181.237
• InChiKey: HCRSKZOKDRPLCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  四(二甲氨基)锆 、 1-(1H-inden-2-yl)-1H-pyrrole 以 乙醚 为溶剂， 生成
  参考文献：
  名称：

  第4族金属茂轴承η 5 -2-（Ñ -Azolyl）茚基配体：合成，结构表征，和烯烃聚合催化

  摘要：

  易于获得的2-溴-1 H-茚与1 H-吡咯，1 H-吲哚，9 H-咔唑及其衍生物在Pd催化下的交叉偶联反应是获得含有唑的新型配体的便捷方法片段通过氮与环戊二烯基键合。使用1-茚满酮或2-茚满酮的烯醇三氟甲磺酸的另一方案也有用，特别是用于合成在位置1带有N-偶氮基片段的茚满。另一方面，合成2-（1H-苯并咪唑-1- yl）-1 H-茚只能通过Cu催化反应来获得。被N取代的取代基-azolyl片段在位置2被进一步用于获得锆的几个semisandwich络合物，[η 5 -2-（Ñ -azolyl）茚基]锆三溴化物，以及对称和不对称的Waymouth型锆和铪配合物含有茚基配体轴承位置2上存在一个平面的N-偶氮基或芳基片段。这些金属茂化合物的特征明确，包括X射线晶体结构分析，并且通过NMR光谱学研究了几种Waymouth型配合物在溶液中的通量行为。最后，发现新型的Waymouth型配合物在被MAO活化后，可形成乙烯均聚和乙烯/

  DOI：

  10.1021/om8010257
• 作为产物：
  描述：

  Tripotassium;phosphate 、 2-溴化茚 、 吡咯 、 2-(二叔丁基膦)联苯 在 醋酸钯 氩 、 甲基叔丁基醚 、 crude product 作用下， 以 甲苯 、 乙二醇二甲醚 为溶剂， 反应 72.0h， 以This procedure gave 5.62 g (20%) of white crystalline product的产率得到1-(1H-inden-2-yl)-1H-pyrrole
  参考文献：
  名称：

  Heterocyclic substituted metallocene compounds for olefin polymerization

  摘要：

  本发明涉及以下式表示的化合物： 其中M是3、4、5或6族过渡金属、镧系或锕系金属原子； E是一种吲哚基配体，在任何位置上用至少一个芳香或假芳香杂环取代，该取代基通过氮或磷杂环原子与吲哚环相结合； A是取代或未取代的环戊二烯基、杂环戊二烯基、吲哚基、杂吲哚基、芴基或杂芴基配体，或其他单阴离子配体，或A可以独立地是E； Y是可选的桥接基团； y为零或一； X是独立的一价阴离子配体， 前提是当A为E，y为一，且Y与每个吲哚配体的一位置相结合时，每个吲哚配体仅有一个芳香杂环或假芳香杂环与吲哚配体相结合。

  公开号：

  US07276567B2

文献信息

• HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION
  申请人：Exxonmobil Chemical Company Inc.

  公开号：EP1735354A1

  公开（公告）日：2006-12-27
• US7276567B2
  申请人：——

  公开号：US7276567B2

  公开（公告）日：2007-10-02
• [EN] HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION<br/>[FR] COMPOSES METALLOCENES SUBSTITUES HETEROCYCLIQUES POUR POLYMERISATION D'OLEFINES
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2005105864A1

  公开（公告）日：2005-11-10

  This invention relates to metallocene compounds represented by formula (I): (I) Where in M is a group 3, 4, 5 or 6 transition metal atom, or a lanthanide metal atom, or actinide metal atom; E is an indenyl ligand that is substituted in any position of the indenyl ligand with at least one aromatic heterocyclic substitutent or pseudoaromatic heterocyclic substituent that is bonded to the indenyl ring through a nitrogen or phosphorous ring heteroatom, and additionally, E may be substituted with 0, 1, 2, 3, 4, 5 or 6 R groups, where each R is, independently, a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, or substituted germylcarbyl substituent, and optionally, two or more adjacent R substituents may join together to form a substituted or unsubstituted, saturated, partially unsaturated, or aromatic cyclic or polycyclic substituent; A is a substituted or unsubstituted cyclopentadienyl ligand, a substituted or unsubstituted heterocyclopentadienyl ligand, a substituted or unsubstituted indenyl ligand, a substituted or unsubstituted heteroindenyl ligand, a substituted or unsubstituted fluorenyl ligand, a substituted or unsubstituted heterofluorenyl ligand, or other mono-anionic ligand, or A may, independently, be defined as E; Y is an optional bridging group that is bonded to E and A, and is present when y is one and absent when y is zero; y is zero or one; X are, independently, univalent anionic ligands, or both X are joined and bound to the metal atom to form a metallocycle ring, or both X join to form a chelating ligand, a diene ligand, or an alkylidene ligand; and provided that when A is independently defined as E, and y is one, and Y is bonded to the one position of each indenyl ligand, and per indenyl ligand there is only one aromatic heterocyclic substitutent or pseudoaromatic heterocyclic substituent that is bonded to the indenyl ligand, such substituent being bonded to the 4-position of the indenyl ligand, then such substituent is not an unsubstituted or hydrocarbyl substituted pyrrol-l-yl substituent including ring-fused hydrocarbyl substituted pyrrol-l-yl substituents such as indol-l-yl, isoindol-2-yl, carbazol-9-yl, 2,3,4,9-tetrahydrocarbazol-9-yl, and 1,2,3,4-tetrahydrocyclopenta[b]indol-4-yl. This invention further relates to a catalyst system comprised of the above metallocenes combined with an activator, and to a process to polymerize unsaturated monomers using such catalyst system.
• Group 4 Metallocenes Bearing η⁵-2-(<i>N</i>-Azolyl)indenyl Ligands: Synthesis, Structure Characterization, and Olefin Polymerization Catalysis
  作者：Artem Y. Lebedev、Vyatcheslav V. Izmer、Andrey F. Asachenko、Alexey A. Tzarev、Dmitry V. Uborsky、Yuliya A. Homutova、Elizar R. Shperber、Jo Ann M. Canich、Alexander Z. Voskoboynikov

  DOI：10.1021/om8010257

  日期：2009.3.23

  obtaining several semisandwich complexes of zirconium, [η5-2-(N-azolyl)indenyl]zirconium tribromides, as well as symmetrical and unsymmetrical Waymouth-type zirconium and hafnium complexes containing indenyl ligands bearing planar N-azolyl or aryl fragments in position 2. These metallocenes were unambiguously characterized, including by X-ray crystal structure analysis, and a study of the fluxional behavior

  易于获得的2-溴-1 H-茚与1 H-吡咯，1 H-吲哚，9 H-咔唑及其衍生物在Pd催化下的交叉偶联反应是获得含有唑的新型配体的便捷方法片段通过氮与环戊二烯基键合。使用1-茚满酮或2-茚满酮的烯醇三氟甲磺酸的另一方案也有用，特别是用于合成在位置1带有N-偶氮基片段的茚满。另一方面，合成2-（1H-苯并咪唑-1- yl）-1 H-茚只能通过Cu催化反应来获得。被N取代的取代基-azolyl片段在位置2被进一步用于获得锆的几个semisandwich络合物，[η 5 -2-（Ñ -azolyl）茚基]锆三溴化物，以及对称和不对称的Waymouth型锆和铪配合物含有茚基配体轴承位置2上存在一个平面的N-偶氮基或芳基片段。这些金属茂化合物的特征明确，包括X射线晶体结构分析，并且通过NMR光谱学研究了几种Waymouth型配合物在溶液中的通量行为。最后，发现新型的Waymouth型配合物在被MAO活化后，可形成乙烯均聚和乙烯/
• Heterocyclic substituted metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20050261449A1

  公开（公告）日：2005-11-24

  This invention relates to compounds represented by formula: wherein M is a group 3, 4, 5 or 6 transition, lanthanide, or actinide metal atom; E is an indenyl ligand substituted in any position with at least one aromatic or pseudoaromatic heterocyclic substituent that is bonded to the indenyl ring through a nitrogen or phosphorous ring heteroatom; A is a substituted or unsubstituted cyclopentadienyl, heterocyclopentadienyl, indenyl, heteroindenyl, fluorenyl, or heterofluorenyl ligand, or other mono-anionic ligand, or A may, independently, be E; Y is an optional bridging group; y is zero or one; X are, independently, univalent anionic ligands, and provided that when A is E, and y is one, and Y is bonded to the one position of each indenyl ligand, and per indenyl ligand there is only one aromatic heterocyclic or pseudoaromatic heterocyclic that is bonded to the indenyl ligand.

  本发明涉及以下式表示的化合物： 其中，M是3、4、5或6族过渡金属、镧系金属或锕系金属原子；E是任何位置上至少带有一种芳香或伪芳香杂环取代基的茚基配体，该取代基通过氮或磷杂环原子与茚环相连；A是取代或未取代的环戊二烯基、杂环戊二烯基、茚基、杂茚基、芴基或杂芴基配体，或其他单阴离子配体，或A可以独立地是E；Y是可选的桥接基团；y为零或一；X是独立的一价阴离子配体，且当A为E，y为一，并且Y与每个茚基配体的一位置相连时，每个茚基配体仅与一个芳香杂环或伪芳香杂环相连。