4-phenyl-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one | 656800-68-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 4-phenyl-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one
• 英文别名: 3,5,6,7-tetrahydro-2-methyl-4-phenyl-s-hydraindacen-1(2H)-one；2-methyl-4-phenyl-3,5,6,7-tetrahydro-2H-s-indacen-1-one
• CAS: 656800-68-9
• 化学式: C₁₉H₁₈O
• 分子量: 262.351
• InChiKey: FDAGMRQNMJLFFP-UHFFFAOYSA-N

物化性质

• 沸点：
  473.0±45.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  4-phenyl-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one 在 甲醇 、 sodium tetrahydroborate 、 盐酸 作用下， 以 甲苯 、 水 为溶剂， 反应 3.5h， 生成 3,5,6,7-tetrahydro-2-methyl-4-phenyl-s-hydraindacen-1(2H)-ol
  参考文献：
  名称：

  不对称袢-Zirconocenes含有2-甲基-4- aryltetrahydroindacene片段：合成，结构和催化活性的丙烯聚合和共聚

  摘要：

  一组非对称的双-茚基锆森达2 -bridged柄-complexes，含有2-异丙基-4- arylindenyl和2-甲基-4- aryltetrahydroindacenyl片段，已经被合成。与没有四氢茚并片段的类似物相比，这些配合物在丙烯均聚和共聚中表现出更好的催化活性，立体选择性和聚合物分子量。

  DOI：

  10.1021/om200610b
• 作为产物：
  描述：

  茚满 在 aluminum (III) chloride 、 trisodium tris(3-sulfophenyl)phosphine 、 溴 、 palladium diacetate 、 sodium carbonate 作用下， 以 二氯甲烷 、 氯仿 、 水 、 乙二醇 为溶剂， 反应 20.5h， 生成 4-phenyl-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one
  参考文献：
  名称：

  不对称袢-Zirconocenes含有2-甲基-4- aryltetrahydroindacene片段：合成，结构和催化活性的丙烯聚合和共聚

  摘要：

  一组非对称的双-茚基锆森达2 -bridged柄-complexes，含有2-异丙基-4- arylindenyl和2-甲基-4- aryltetrahydroindacenyl片段，已经被合成。与没有四氢茚并片段的类似物相比，这些配合物在丙烯均聚和共聚中表现出更好的催化活性，立体选择性和聚合物分子量。

  DOI：

  10.1021/om200610b

文献信息

• [EN] GROUP 4 METAL COMPLEXES CONTAINING 4-ARYL-SUBSTITUTED, TRICYCLIC INDENYL DERIVATIVES<br/>[FR] COMPLEXES DE METAUX DU GROUPE 4 CONTENANT DES DERIVES INDENYLES TRICYCLIQUES 4-ARYLE-SUBSTITUES
  申请人：DOW GLOBAL TECHNOLOGIES INC

  公开号：WO2004013149A1

  公开（公告）日：2004-02-12

  Group 4 metal constrained geometry complexes comprising tricyclic 4-aryl­substituted indenyl ligands, especially 1,5,6,7-tetrahydro-4-aryl-s-indacen-1-yl ligands, catalytic derivatives thereof, processes for preparing the same and their use as components of olefin polymerization catalysts are disclosed.

  揭示了由三环4-芳基取代的茚基配体组成的第四组金属受限几何配合物，特别是1,5,6,7-四氢-4-芳基-s-茚烯-1-基配体，其催化衍生物，制备这些配合物的方法以及它们作为烯烃聚合催化剂组分的用途。
• Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins
  申请人：Okumura Yoshikuni

  公开号：US20070155919A1

  公开（公告）日：2007-07-05

  The present invention relates to organometallic transition metal compounds of the formula (I) where M 1 is an element of group 3, 4, 5 or 6 of the Periodic Table of the Elements or the lanthanides, the radicals X are identical or different and are each an organic or inorganic radical, with two radicals X also being able to be joined to one another, n is a natural number from 1 to 4, Z is a divalent organic group which has from 1 to 40 carbon atoms and together with the two carbon atoms of the indenyl system forms a saturated or unsaturated, substituted or unsubstituted ring system having a ring size of from 4 to 12 atoms, where Z within the ring system fused to the indenyl system may also contain one or more, identical or different heteroatoms selected from the group consisting of Si, Ge, N, P, 0, S, Se and Te, R 1 is hydrogen or an organic radical having from 1 to 40 carbon atoms, R 2 is hydrogen or an organic radical having from 1 to 40 carbon atoms, R 3 is hydrogen, halogen or an organic radical having from 1 to 40 carbon atoms, R 4 is hydrogen, halogen or an organic radical having from 1 to 40 carbon atoms, R 5 is hydrogen or an organic radical having from 1 to 40 carbon atoms, R 6 is hydrogen or an organic radical having from 1 to 40 carbon atoms, R 7 , R 8 are identical or different and are each hydrogen or an organic radical having from 1 to 40 carbon atoms or R 7 and R 8 together with the atoms connecting them form a monocyclic or polycyclic, substituted or unsubstituted ring system which has from 1 to 40 carbon atoms and may also contain heteroatoms selected from the group consisting of the elements Si, Ge, N, P, 0, S, Se and Te, A is a bridge consisting of a divalent atom or a divalent group, and if R 3 is hydrogen, then R 5 is an organic radical which has from 3 to 20 carbon atoms and is branched in the a position and R 6 is hydrogen, biscyclopentadienyl ligand systems having such a substitution pattern, catalyst systems comprising at least one of the organometallic transition metal compounds of the present invention, a process for preparing polyolefins by polymerization or copolymerization of at least one olefin in the presence of one of the catalyst systems of the present invention, the use of the biscyclopentadienyl ligand systems of the present invention for preparing organometallic transition metal compounds and a process for preparing organometallic transition metal compounds using the biscyclopentadienyl ligand systems.

  本发明涉及公式（I）的有机金属过渡金属化合物，其中M1为元素3、4、5或6组或镧系元素，X基团相同或不同，每个基团都是有机或无机基团，其中两个X基团也可以连接在一起，n为1至4的自然数，Z为二价有机基团，具有1至40个碳原子，与茚环系统的两个碳原子一起形成饱和或不饱和的取代或未取代的环系统，环大小为4至12个原子，其中在茚环系统中融合的Z也可以包含来自Si、Ge、N、P、O、S、Se和Te组的一个或多个相同或不同的杂原子，R1为氢或具有1至40个碳原子的有机基团，R2为氢或具有1至40个碳原子的有机基团，R3为氢、卤素或具有1至40个碳原子的有机基团，R4为氢、卤素或具有1至40个碳原子的有机基团，R5为氢或具有1至40个碳原子的有机基团，R6为氢或具有1至40个碳原子的有机基团，R7、R8相同或不同，每个都是氢或具有1至40个碳原子的有机基团，或R7和R8与连接它们的原子一起形成具有1至40个碳原子的单环或多环，取代或未取代的环系统，也可以包含来自Si、Ge、N、P、O、S、Se和Te组的杂原子，A是由二价原子或二价基团组成的桥，如果R3是氢，则R5是具有3至20个碳原子且在α位分支的有机基团，而R6是氢。具有这种取代模式的双环戊二烯基配体系统，催化剂系统包括本发明的有机金属过渡金属化合物中的至少一个，通过在本发明的催化剂系统中聚合或共聚至少一种烯烃制备聚烯烃的方法，使用本发明的双环戊二烯基配体系统制备有机金属过渡金属化合物的用途以及使用双环戊二烯基配体系统制备有机金属过渡金属化合物的方法。
• [EN] ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS<br/>[FR] COMPOSE DE METAL DE TRANSITION ORGANOMETALLIQUE, SYSTEME DE LIGAND BISCYCLOPENTADIENYL, SYSTEME CATALYTIQUE ET FABRICATION DE POLYOLEFINES
  申请人：BASELL POLYOLEFINE GMBH

  公开号：WO2005058916A3

  公开（公告）日：2005-11-03
• ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS
  申请人：Basell Polyolefine GmbH

  公开号：EP1692144A2

  公开（公告）日：2006-08-23
• US7452949B2
  申请人：——

  公开号：US7452949B2

  公开（公告）日：2008-11-18