(2-isopropyl-4-(3',5'-di-tertbutylphenyl))indene | 387367-76-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: (2-isopropyl-4-(3',5'-di-tertbutylphenyl))indene
• 英文别名: (2-isopropyl-4-(3’,5’-di-tert-butylphenyl))indene；4-[3',5'-di-t-butylphenyl]-2-isopropylindene；4-(3',5'-Bis-[t-butyl]phenyl)2-isopropylindene；4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-indene
• CAS: 387367-76-2
• 化学式: C₂₆H₃₄
• 分子量: 346.556
• InChiKey: NTQZUUYTFALLNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (2-isopropyl-4-(3',5'-di-tertbutylphenyl))indene 、 二甲基硅烷 生成 1,2,3,5-tetramethylcyclopenta-1,3-diene
  参考文献：
  名称：

  Transition Metal Compound, Catalyst Composition and Method for Preparing Polypropylene Using the Same

  摘要：

  本公开涉及以下化学式1的新型过渡金属化合物，该化合物表现出高氢反应性，具有优异的丙烯聚合催化活性，在制备具有窄分子量分布和低熔点的聚丙烯方面有用。还包括包含该化合物的催化剂组合物和使用该催化剂组合物制备聚丙烯的方法，其中M，X1，X2，R1至R9在此处描述。

  公开号：

  US20220098225A1
• 作为产物：
  描述：

  9,9-dichloro-9-silafluorene 、 Lithium 4-(3',5'-di-t-butylphenyl)-2-isopropylindene 在 氯化锂 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 (2-isopropyl-4-(3',5'-di-tertbutylphenyl))indene
  参考文献：
  名称：

  Metallocene compositions

  摘要：

  本发明涉及金属茂化物组合物及其在制备催化剂体系用于烯烃聚合，特别是丙烯聚合中的应用。金属茂化物组合物可以用以下式子表示：其中M1从钛、锆、铪、钒、铌、钽、铬、钼和钨中选择；R1和R2相同或不同，是氢原子、C1-C10烷基、C1-C10烷氧基、C6-C10芳基、C6-C10芳氧基、C2-C40烯基、C7-C40芳基烷基、C7-C40烷基芳基、C8-C40芳基烯基、OH基或卤素原子，或者是具有一个或多个烃基、三（烃基）硅基团或三（烃基）硅基烃基团的共轭二烯，该二烯具有不超过30个原子，不包括氢原子；R3相同或不同，是氢原子、卤素原子、C1-C10烷基（可以卤化）、C6-C10芳基（可以卤化）、C2-C10烯基、C7-C40芳基烷基、C7-C40烷基芳基、C8-C40芳基烯基、—NR′2、—SR′、—OR′、—OSiR′3或—PR′2基团，其中R′是卤素原子、C1-C10烷基或C6-C10芳基之一；R4到R7相同或不同，是氢，如R3所定义，或者相邻的两个或多个基团R5到R7与连接它们的原子形成一个或多个环；R13是—B（R14）—、—Al（R14）—、—Ge—、—Sn—、—O—、—S—、—SO—、—SO2—、—N（R14）—、—CO—、—P（R14）—或—P（O）（R14）—，或者是一种酰胺硼烷基团；其中：R14、R15和R16相同或不同，是氢原子、卤素原子、C1-C20烷基、C1-C20氟烷基或硅基烷基、C6-C30芳基、C6-C30氟芳基、C1-C20烷氧基、C2-C20烯基、C7-C40芳基烷基、C8-C40芳基烯基、C7-C40烷基芳基，或者R14和R15与连接它们的原子形成一个环；或者，R13由以下式子表示：其中R17到R24与R1和R2的定义相同，或者相邻的两个或多个基团R17到R24，包括R20和R21，与连接它们的原子形成一个或多个环；M2是一个或多个碳、硅、锗或锡；R8、R10和R12相同或不同，具有R4到R7中所述的含义；R9和R11相同或不同，是具有1-20个碳原子的14族基团，或者是每个主要、次要或三级丁基、芳基、异丙基、氟烷基、三烷基硅基团或类似大小的其他基团。

  公开号：

  US06376407B1

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。
• Transition Metal Compound, Catalyst Composition and Method for Preparing Polypropylene Using the Same
  申请人：LG Chem, Ltd.

  公开号：US20220098225A1

  公开（公告）日：2022-03-31

  The present disclosure relates to a novel transition metal compound of the following Chemical Formula 1, which exhibits high hydrogen reactivity with excellent catalytic activity for propylene polymerization, and is useful in the preparation of a polypropylene having a narrow molecular weight distribution and a low melting point, a catalyst composition including the same, and a method for preparing a polypropylene using the same, wherein M, X 1 , X 2 , R 1 to R 9 are described herein.

  本公开涉及以下化学式1的新型过渡金属化合物，该化合物表现出高氢反应性，具有优异的丙烯聚合催化活性，在制备具有窄分子量分布和低熔点的聚丙烯方面有用。还包括包含该化合物的催化剂组合物和使用该催化剂组合物制备聚丙烯的方法，其中M，X1，X2，R1至R9在此处描述。
• Metallocene compositions
  申请人：——

  公开号：US20020193242A1

  公开（公告）日：2002-12-19

  This invention relates to metallocene compositions and their use in the preparation of catalyst systems for olefin polymerization, particularly propylene polymerization. In one embodiment, the metallocenes of the present invention may be represented by the formula: 1 wherein: M is a metal of Group 4, 5 , or 6 of the Periodic Table preferably, zirconium, hafnium and titanium, most preferably zirconium; R 1 and R 2 are identical or different, preferably identical, and are one of a hydrogen atom, a C 1 -C 10 alkyl group, preferably a C 1 -C 3 alkyl group, a C 1 -C 10 alkoxy group, preferably a C 1 -C 3 alkoxy group, a C 6 -C 10 aryl group, preferably a C 6 -C 8 aryl group, a C 6 -C 10 aryloxy group, preferably a C 6 -C 8 aryloxy group, a C 2 -C 10 alkenyl group, preferably a C 2 -C 4 alkenyl group, a C 7 -C 40 arylalkyl group, preferably a C 7 -C 10 arylalkyl group, a C 7 -C 40 alkylaryl group, preferably a C 7 -C 12 alkylaryl group, a C 8 -C 40 arylalkenyl group, preferably a C 8 -C 12 arylalkenyl group, or a halogen atom, preferably chlorine, or are a conjugated diene which is optionally substituted with one or more hydrocarbyl, tri(hydrocarbyl)silyl groups or hydrocarbyl, tri(hydrocarbyl)silylhydrocarbyl groups, said diene having up to 30 atoms not counting hydrogen; R 5 and R 6 are identical or different preferably identical, are one of a hydrogen atom, a halogen atom, preferably a fluorine, chlorine or bromine atom, a C 1 -C 10 alkyl group, preferably a C 1 -C 4 alkyl group, which may be halogenated, a C 6 -C 10 aryl group, which may be halogenated, preferably a C 6 -C 8 aryl group, a C 2 -C 10 alkenyl group, preferably a C 2 -C 4 alkenyl group, a C 7 -C 40 -arylalkyl group, preferably a C 7 -C 10 arylalkyl group, a C 7 -C 40 alkylaryl group, preferably a C 7 -C 12 alkylaryl group, a C 8 -C 40 arylalkenyl group, preferably a C 8 -C 12 arylalkenyl group, a —NR 2 15 , —SR 15 , —OR 15 , —OSiR 15 or —PR 2 15 radical, wherein: R 15 is one of a halogen atom, preferably a chlorine atom, a C 1 -C 10 alkyl group, preferably a C 1 -C 3 alkyl group, or a C 6 -C 10 aryl group, preferably a C 6 -C 9 aryl group; R 7 is 2 wherein: R 17 to R 24 are as defined for R 1 and R 2 , or two or more adjacent radicals R 17 to R 24 , including R 20 and R 21 , together with the atoms connecting them form one or more rings; M 2 is carbon, silicon, germanium or tin; the radicals R 3 , R 4 , and R 10 are identical or different and have the meanings stated for R 5 and R 6 . Two adjacent R 10 radicals can be joined together to form a ring system, preferably a ring system containing from about 4 - 6 carbon atoms. Alkyl refers to straight or branched chain substituents. Halogen (halogenated) refers to fluorine, chlorine, bromine or iodine atoms, preferably fluorine or chlorine. The metallocene compositions may also be represented by the formula: 3 wherein: M 1 is selected from the group consisting of titanium, zirconium, hafnium, vanadium, niobium, tantalum, chromium, molybdenum and tungsten, preferably zirconium, hafnium or titanium, most preferably zirconium; R 1 and R 2 are identical or different, and are one of a hydrogen atom, a C 1 -C 10 alkyl group, a C 1 -C 10 alkoxy group, a C 6 -C 10 aryl group, a C 6 -C 10 aryloxy group, a C 2 -C 10 alkenyl group, a C 2 -C 40 alkenyl group, a C 7 -C 40 arylalkyl group, a C 7 -C 40 alkylaryl group, a C 8 -C 40 arylalkenyl group, an OH group or a halogen atom, or are a conjugated diene which is optionally substituted with one or more hydrocarbyl, tri(hydrocarbyl)silyl groups or hydrocarbyl, tri(hydrocarbyl)silylhydrocarbyl groups, said diene having up to 30 atoms not counting hydrogen; preferably R 1 and R 2 are identical and are a C 1 -C 3 alkyl or alkoxy group, a C 6 -C 8 aryl or aryloxy group, a C 2 -C 4 alkenyl group, a C 7 -C 10 arylalkyl group, a C 7 -C 12 alkylaryl group, or a halogen atom, preferably chlorine; R 3 are identical or different and are each a hydrogen atom, a halogen atom, a C 1 -C 10 alkyl group which may be halogenated, a C 6 -C 10 aryl group which may be halogenated, a C 2 -C 10 alkenyl group, a C 7 -C 40 -arylalkyl group, a C 7 -C 40 alkylaryl group, a C 8 -C 40 arylalkenyl group, a —NR′ 2 , —SR′, —OR′, —OSiR′ 3 or —PR′ 2 radical, wherein: R′ is one of a halogen atom, a C 1 -C 10 alkyl group, or a C 6 -C 10 aryl group; preferably R 3 is not a hydrogen atom; preferably each R 3 is identical and is a fluorine, chlorine or bromine, atom, a C 1 -C 4 alkyl group which may be halogenated, a C 6 -C 8 aryl group which may be halogenated, a —NR′ 2 , —SR′, —OR′, —OSiR′ 3 or —PR′ 2 radical, wherein: R′ is one of a chlorine atom, a C 1 -C 4 alkyl group, or a C 6 -C 8 aryl group; R 13 is represented by the formula: 4 wherein: R 17 to R 24 are as defined for R 1 and R 2 , or two or more adjacent radicals R 17 to R 24 , including R 20 and R 21 , together with the atoms connecting them form one or more rings; preferably, R 17 to R 24 are hydrogen. M 2 is carbon, silicon, germanium or tin, preferably silicon; R 8 , R 9 , R 10 , R 11 and R 12 are identical or different and have the meanings stated for R 4 to R 7 . This invention relates to bridged indenyl metallocene compositions and their use in the preparation of catalyst systems for olefin polymerization, particularly propylene polymerization. The bridge may be represented by the formula: 5 wherein: R 17 to R 24 are are identical or different, and are one of a hydrogen atom, a C 1 -C 10 alkyl group a C 1 -C 10 alkoxy group, a C 6 -C 10 aryl group, a C 6 -C 10 aryloxy group, a C 2 -C 10 alkenyl group, a C 7 -C 40 arylalkyl group, a C 7 -C 40 alkylaryl group, a C 8 -C 40 arylalkenyl group, or a halogen atom, or a conjugated diene which is optionally substituted with one or more hydrocarbyl, tri(hydrocarbyl)silyl groups or hydrocarbyl, tri(hydrocarbyl)silylhydrocarbyl groups, said diene having up to 30 atoms not counting hydrogen; or two or more adjacent radicals R 17 to R 24 , including R 20 and R 21 , together with the atoms connecting them form one or more rings; and M 2 is carbon, silicon, germanium or tin.

  本发明涉及金属茂组成物及其在烯烃聚合催化剂体系中的应用，特别是丙烯聚合。在一种实施方式中，本发明的茂金属可以由以下公式表示：其中：M是周期表中4、5或6族金属，优选锆、铪和钛，最优选锆；R1和R2相同或不同，优选相同，可以是氢原子、C1-C10烷基，优选C1-C3烷基、C1-C10烷氧基，优选C1-C3烷氧基、C6-C10芳基，优选C6-C8芳基、C6-C10芳氧基，优选C6-C8芳氧基、C2-C10烯基，优选C2-C4烯基、C7-C40芳基烷基，优选C7-C10芳基烷基、C7-C40烷基芳基，优选C7-C12烷基芳基、C8-C40芳基烯基，优选C8-C12芳基烯基，或卤素原子，优选氯；或是含有一个或多个烃基、三(烃基)硅基团或烃基、三(烃基)硅基烃基团的共轭二烯，所述二烯不计算氢原子有多达30个碳原子；R5和R6相同或不同，优选相同，可以是氢原子、卤素原子，优选氟、氯或溴原子、C1-C10烷基，优选C1-C4烷基，可以是卤素化的、C6-C10芳基，可以是卤素化的，优选C6-C8芳基、C2-C10烯基，优选C2-C4烯基、C7-C40芳基烷基，优选C7-C10芳基烷基、C7-C40烷基芳基，优选C7-C12烷基芳基、C8-C40芳基烯基，优选C8-C12芳基烯基、-NR215、-SR15、-OR15、-OSiR15或-PR215基团，其中：R15是卤素原子，优选氯原子、C1-C10烷基，优选C1-C3烷基，或C6-C10芳基，优选C6-C9芳基；R7是-CH2-或-C(CH3)2-；其中：R17到R24如R1和R2所定义，或两个或更多相邻的基团R17到R24，包括R20和R21，与连接它们的原子形成一个或多个环；M2是碳、硅、锗或锡；基团R3、R4和R10相同或不同，具有与R5和R6所述的含义相同。相邻的两个R10基团可以连接在一起形成一个环系统，优选含有约4-6个碳原子的环系统。烷基指直链或支链取代基。卤素(卤素化)指氟、氯、溴或碘原子，优选氟或氯。茂金属组成物也可以由以下公式表示：其中：M1选自钛、锆、铪、钒、铌、钽、铬、钼和钨的群体，优选锆、铪或钛，最优选锆；R1和R2相同或不同，可以是氢原子、C1-C10烷基、C1-C10烷氧基、C6-C10芳基、C6-C10芳氧基、C2-C10烯基、C2-C40烯基、C7-C40芳基烷基、C7-C40烷基芳基、C8-C40芳基烯基、OH基或卤素原子，或是含有一个或多个烃基、三(烃基)硅基团或烃基、三(烃基)硅基烃基团的共轭二烯，所述二烯不计算氢原子有多达30个碳原子；优选R1和R2相同，是C1-C3烷基或烷氧基、C6-C8芳基或芳氧基、C2-C4烯基、C7-C10芳基烷基、C7-C12烷基芳基或卤素原子，优选氯；R3相同或不同，是氢原子、卤素原子、C1-C10烷基，可以是卤素化的、C6-C10芳基，可以是卤素化的、C2-C10烯基、C7-C40芳基烷基、C7-C40烷基芳基、C8-C40芳基烯基、-NR′2、-SR′、-OR′、-OSiR′3或-PR′2基团，其中：R′是卤素原子、C1-C10烷基或C6-C10芳基；优选R3不是氢原子；优选每个R3相同，是氟、氯或溴原子、C1-C4烷基，可以是卤素化的、C6-C8芳基，可以是卤素化的、-NR′2、-SR′、-OR′、-OSiR′3或-PR′2基团，其中：R′是氯原子、C1-C4烷基或C6-C8芳基；R13由以下公式表示：其中：R17到R24如R1和R2所定义，或两个或更多相邻的基团R17到R24，包括R20和R21，与连接它们的原子形成一个或多个环；优选R17到R24是氢原子。M2是碳、硅、锗或锡，优选硅；基团R8、R9、R10、R11和R12相同或不同，具有与R4到R7所述的含义相同。本发明涉及桥联茚基茂金属组成物及其在烯烃聚合催化剂体系中的应用，特别是丙烯聚合。桥可以由以下公式表示：其中：R17到R24如上所述，或两个或更多相邻的基团R17到R24，包括R20和R21，与连接它们的原子形成一个或多个环；M2是碳、硅、锗或锡。