4-氯-2-(1-甲基乙基)-1H-茚 | 354589-68-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 中文名称: 4-氯-2-(1-甲基乙基)-1H-茚
• 英文名称: 4-chloro-2-isopropylindene
• 英文别名: 4-Chloro-2-(propan-2-yl)-1H-indene；4-chloro-2-propan-2-yl-1H-indene
• CAS: 354589-68-7
• 化学式: C₁₂H₁₃Cl
• mdl: MFCD06797449
• 分子量: 192.688
• InChiKey: VDFIGYCUOGDOPV-UHFFFAOYSA-N

物化性质

• 沸点：
  276.6±29.0 °C(Predicted)
• 密度：
  1.108±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  4-氯-2-(1-甲基乙基)-1H-茚 、 3,5-dimethyphenylmagnesium bromide 在 bis(triphenylphosphine)nickel(II) chloride 水 、 盐酸 、 magnesium sulfate 、 正己烷 作用下， 以 乙醚 为溶剂， 反应 32.0h， 生成 4-(3',5'-dimethylphenyl)-2-isopropylindene
  参考文献：
  名称：

  Propylene impact copolymers

  摘要：

  本发明涉及丙烯冲击共聚物组合物。特别是，这些独特和改进的组合物可以使用常规的商业规模工艺生产。

  公开号：

  US20010034411A1

文献信息

• Metallocene compositions
  申请人：——

  公开号：US20030073568A1

  公开（公告）日：2003-04-17

  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 3 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 .

  本发明涉及金属茂组成物及其在烯烃聚合催化剂系统制备中的应用，尤其是丙烯聚合。 在一种实施方式中，本发明的茂金属可以用以下公式表示： 其中：M是周期表中第4、5或6组的金属，优选锆、铪和钛，最优选锆；R1和R2相同或不同，优选相同，它们是氢原子、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，或卤原子，优选氯原子，或是具有一个或多个烃基、三(烃基)硅基团或烃基、三(烃基)硅基团烃基的共轭二烯，所述二烯不计算氢原子最多有30个原子；R5和R6相同或不同，优选相同，它们是氢原子、卤原子，优选氟、氯或溴原子，C1-C10烷基，优选C1-C4烷基，可以卤代，C6-C10芳基，可以卤代，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，或者是—NR215、—SR15、—OR15、—OSiR315或—PR215基，其中：R15是卤原子，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 其中：R17到R24如R1和R2中所定义，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，并且具有R5和R6中所述的含义。两个相邻的R10基团可以连接在一起形成环系，优选含有约4-6个碳原子的环系。烷基是直链或支链取代基。卤素(卤代)是氟、氯、溴或碘原子，优选氟或氯。茂金属组成物也可以用以下公式表示： 其中：M1选自钛、锆、铪、钒、铌、钽、铬、钼和钨的组，优选锆、铪或钛，最优选锆；R1和R2相同或不同，它们是氢原子、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基或卤原子，或是具有一个或多个烃基、三(烃基)硅基团或烃基、三(烃基)硅基团烃基的共轭二烯，所述二烯不计算氢原子最多有30个原子；优选R1和R2相同且为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烷基芳基或卤原子，优选氯；R3相同或不同，它们是氢原子、卤原子，可以卤代的C1-C10烷基、可以卤代的C6-C10芳基、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，其中：R′是卤原子、C1-C10烷基或C6-C10芳基；优选R3不是氢原子；优选每个R3相同且为氟、氯或溴原子、可以卤代的C1-C4烷基、可以卤代的C6-C8芳基、—NR′2、—SR′、—OR′、—OSiR′3或—PR′2基，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中所定义，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；R8、R9、R10、R11和R12相同或不同，具有R4到R7中所述的含义。
• Preparation of substituted indenes
  申请人：Schulte L. Jorg

  公开号：US20060052620A1

  公开（公告）日：2006-03-09

  The present invention relates to a simple process for preparing alkyl-substituted indenes of the formula (II) in improved yields from indenes of the formula (I) by reaction with compounds of the formula (III), to the alkyl-substituted indenes prepared in this way and to the use of these for the preparation of metallocenes for highly active polymerization catalysts.

  本发明涉及一种简单的方法，通过将化合物(III)与化合物(I)反应，改进产量地制备公式(II)的烷基取代的茚烯，以及通过这种方式制备的烷基取代的茚烯，并将其用于制备高活性聚合催化剂的金属茂。
• Propylene polymer
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：EP1632506A1

  公开（公告）日：2006-03-08

  This invention relates to metallocene compositions and their use in the preparation of catalyst systems for olefin polymerization, particularly propylene polymerization. The metallocene compositions may be represented by the formula:     wherein M1 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; R1 and R2 are identical or different, and are one of a hydrogen atom, a C1-C10 alkyl group, a C1-C10 alkoxy group, a C6-C10 aryl group, a C6-C10 aryloxy group, a C2-C10 alkenyl group, a C2-C40 alkenyl group, a C7-C40 arylalkyl group, a C7-C40 alkylaryl group, a C8-C40 arylalkenyl group, an OH 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; preferably R1 and R2 are identical and are a C1-C3 alkyl or alkoxy group, a C6-C8 aryl or aryloxy group, a C2-C4 alkenyl group, a C7-C10 arylalkyl group, a C7-C12 alkylaryl group, or a halogen atom, preferably chlorine; R3 are identical or different and are each a hydrogen atom, a halogen atom, a C1-C10 alkyl group which may be halogenated, a C6-C10 aryl group which may be halogenated, a C2-C10 alkenyl group, a C7-C40 -arylalkyl group, a C7-C40 alkylaryl group, a C8-C40 arylalkenyl group, a -NR'2, -SR', -OR, -OSiR'3 or -PR'2 radical, wherein R' is one of a halogen atom, a C1-C10 alkyl group, or a C6-C10 aryl group; preferably R3 is not a hydrogen atom; preferably each R3 is identical and is a fluorine, chlorine or bromine, atom, a C1-C4 alkyl group which may be halogenated, a C6-C8 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 C1-C4 alkyl group, or a C6-C8 aryl group; more preferably, R3 are identical and are each a C3 alkyl group, most preferably isopropyl groups; alternatively, R3 is a C1 or C2 alkyl group; R4 to R7 are identical or different and are hydrogen, as defined for R3 or two or more adjacent radicals R5 to R7 together with the atoms connecting them form one or more rings, preferably a 4-8 membered ring , more preferably a 6-membered ring; R13 is -B(R14)-, -Al(R14)-, -Ge-, -Sn-, -O-, -S-, -SO-, -SO2-, -N(R14)-, -CO-, -P(R14)-, or -P(O)(R14)-, or an amidoborane radical; wherein: R14, R15and R16 are identical or different and are a hydrogen atom, a halogen atom, a C1-C20 alkyl group, a C1-C20 fluoroalkyl or silaalkyl group, a C6-C30 aryl group, a C6-C30 fluoroaryl group, a C1-C20 alkoxy group, a C2-C20 alkenyl group, a C7-C40 arylalkyl group, a C8-C40 arylalkenyl group, a C7-C40 alkylaryl group, or R14 and R15, together with the atoms binding them, form a cyclic ring; preferably, R14, R15and R16 are identical and are a hydrogen atom, a halogen atom, a C1-C4 alkyl group, a CF3 group, a C6-C8 aryl group, a C6-C10 fluoroaryl group, more preferably a pentafluorophenyl group, a C1-C4 alkoxy group, in particular a methoxy group, a C2-C4 alkenyl group, a C7-C10 arylalkyl group, a C8-C12 arylalkenyl group, or a C7-C12alkylaryl group; M2 is one or more carbons, silicon, germanium or tin, preferably silicon; R8, R10 and R12 are identical or different and have the meanings stated for R4 to R7; R9 and R11 are identical or different and are a Group IVA radical having from 1 to 20 carbon atoms or are each primary, secondary or tertiary butyl groups, aryl groups, isopropyl groups, fluoroalkyl groups, trialkyl silyl groups, or other groups of similar size, preferably a tertiary butyl group.

  本发明涉及茂金属组合物及其在制备烯烃聚合，特别是丙烯聚合催化剂体系中的用途。茂金属组合物可由式表示： 其中 M1 选自钛、锆、铪、钒、铌、钽、铬、钼和钨组成的组，优选锆、铪或钛，最优选锆； R1 和 R2 相同或不同，并且是氢原子、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 芳烷基、C7-C40 烷芳基中的一种、一个 C8-C40 芳烷基、一个 OH 基团或一个卤素原子，或一个共轭二烯，其可选择被一个或多个烃基、三（烃基）硅基或烃基、三（烃基）硅基烃基取代，所述二烯具有多达 30 个原子（不包括氢原子）； 最好 R1 和 R2 相同，并且是 C1-C3 烷基或烷氧基、C6-C8 芳基或芳氧基、C2-C4 烯基、C7-C10 芳烷基、C7-C12 烷芳基或卤原子，最好是氯原子； R3相同或不同，各自为氢原子、卤素原子、可卤化的C1-C10烷基、可卤化的C6-C10芳基、C2-C10烯基、C7-C40芳烷基、C7-C40 烷芳基、C8-C40 芳烯基、-NR'2、-SR'、-OR、-OSiR'3 或 -PR'2 自由基，其中 R' 是卤素原子、C1-C10 烷基或 C6-C10 芳基之一；R3 最好不是氢原子； 更优选地，每个 R3 相同，并且是氟、氯或溴原子、可卤化的 C1-C4 烷基、可卤化的 C6-C8 芳基、-NR'2、-SR'、-OR'、-OSiR'3 或 -PR'2 自由基，其中 R' 是氯原子、C1-C4 烷基或 C6-C8 芳基之一； 更优选的是，R3 相同且各自为 C3 烷基，最优选异丙基； 或者，R3 是 C1 或 C2 烷基； R4 至 R7 相同或不同，并且是氢，如 R3 所定义，或两个或多个相邻基 R5 至 R7 与连接它们的原子一起形成一个或多个环，优选 4-8 员环，更优选 6 员环； R13 是 -B(R14)-、-Al(R14)-、-Ge-、-Sn-、-O-、-S-、-SO-、-SO2-、-N(R14)-、-CO-、-P(R14)-或-P(O)(R14)-，或氨基硼烷基； 其中 R14、R15 和 R16 相同或不同，并且是氢原子、卤素原子、C1-C20 烷基、C1-C20 氟烷基或硅烷基、C6-C30 芳基、C6-C30 氟芳基、C1-C20 烷氧基、C2-C20 烯基、C7-C40 芳烷基、C8-C40 芳烯基、C7-C40 烷芳基，或 R14 和 R15 与结合它们的原子一起形成一个环； 优选地，R14、R15 和 R16 相同，并且是氢原子、卤素原子、C1-C4 烷基、CF3 基团、C6-C8 芳基、C6-C10 氟芳基（更优选五氟苯基）、C1-C4 烷氧基（尤其是甲氧基）、C2-C4 烯基、C7-C10 芳烷基、C8-C12 芳烯基或 C7-C12 烷芳基； M2 是一个或多个碳、硅、锗或锡，最好是硅； R8、R10 和 R12 相同或不同，并具有 R4 至 R7 所述的含义； R9 和 R11 相同或不同，并且是具有 1 至 20 个碳原子的 IVA 族基团，或者各自是伯、仲或叔丁基、芳基、异丙基、氟烷基、三烷基硅基或其他类似大小的基团，最好是叔丁基。
• Metallocenes and catalyst compositions derived therefrom
  申请人：Hart R. James

  公开号：US20050054520A1

  公开（公告）日：2005-03-10

  Metallocenes and catalyst systems for olefin polymerization derived therefrom. The metallocenes may be represented by the formula: wherein M 1 preferably is zirconium or hafnium; and R 12 is different from hydrogen.

  茂金属及其衍生的烯烃聚合催化剂体系。茂金属可由式表示： 其中 M 1 最好是锆或铪；以及 R 12 不同于氢。
• Polymerization process and polymer composition
  申请人：Hart R. James

  公开号：US20050059785A1

  公开（公告）日：2005-03-17

  Olefin polymerization processes using catalyst systems based on metallocenes and olefin, in particular, propylene polymers obtainable thereby. The metallocenes may be represented by the formula: wherein M 1 preferably is zirconium or hafnium; and R 12 is different from hydrogen.

  使用基于茂金属的催化剂体系的烯烃聚合工艺，以及由此获得的烯烃，特别是丙烯聚合物。茂金属可由式表示： 其中 M 1 最好是锆或铪；以及 R 12 不同于氢。