4-bromo-2-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-1-one | 856413-51-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 4-bromo-2-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-1-one
• 英文别名: 4-bromo-2-methyl-2,3,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-one
• CAS: 856413-51-9
• 化学式: C₁₄H₁₅BrO
• 分子量: 279.176
• InChiKey: GFFCJWBNPOZWEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-bromo-2-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-1-one 、 4-叔丁基苯硼酸 在 palladium diacetate 、 三苯基膦 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 6.0h， 以50%的产率得到4-(4-t-butylphenyl)-2-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-1-one
  参考文献：
  名称：

  [EN] ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS
  [FR] COMPOSE DE METAL DE TRANSITION ORGANOMETALLIQUE, SYSTEME DE LIGAND BISCYCLOPENTADIENYL, SYSTEME CATALYTIQUE ET FABRICATION DE POLYOLEFINES

  摘要：

  公开号：

  WO2005058916A3
• 作为产物：
  描述：

  2-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-1-one 在 aluminum (III) chloride 、 溴 作用下， 以 二氯甲烷 为溶剂， 反应 16.33h， 以74%的产率得到4-bromo-2-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-1-one
  参考文献：
  名称：

  [EN] ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS
  [FR] COMPOSE DE METAL DE TRANSITION ORGANOMETALLIQUE, SYSTEME DE LIGAND BISCYCLOPENTADIENYL, SYSTEME CATALYTIQUE ET FABRICATION DE POLYOLEFINES

  摘要：

  公开号：

  WO2005058916A3

文献信息

• Halogen substituted metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20060183874A1

  公开（公告）日：2006-08-17

  A metallocene compound is represented by the formula (1): A 2 Y y MX n-2 wherein: M is a transition metal atom having a coordination number of n selected from Group 3, 4, 5 or 6 of the Periodic Table of Elements, or a lanthanide metal atom, or actinide metal atom; each A is independently a substituted polycyclic arenyl ligand pi-bonded to M, each A ligand includes at least one halogen substituent directly bonded to an sp 2 carbon at a bondable ring position and, when each A is a substituted indenyl ligand and y is equal to one and the ligand includes at least one chloro, bromo or iodo substituent at the 4, 5, or 6 position of the indenyl ligand, then A also includes at least one other substituent in the indenyl ligand selected from hydrocarbyl, substituted hydrocarbyl, halogen, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, substituted germylcarbyl, or other heteroatom substituents wherein the heteroatom is bonded directly to a ring carbon of the ring structure ligand and is boron, a Group 15 atom, or a Group 16 atom, preferably boron, nitrogen, oxygen, phosphorus, or sulfur; Y is an optional bridging group containing at least one Group 13, 14, 15, or 16 element and is bonded to any single position of the ring structure of A, y is zero or 1, indicating the absence (y=0) or presence (y=1) of Y; and the or each X is a univalent anionic ligand, or two X are joined and bound to the metal atom to form a metallocycle ring, or two X are joined to form a chelating ligand, a diene ligand, or an alkylidene ligand; provided that when y is equal to 1, then A is not 5,6-dichloroindenyl or an indenyl group having a fluoro- or chloro substituent at the 7 position and a hydrocarbyl or substituted hydrocarbyl substituent at the 4 position, and provided further that when y is equal to 0, then A is not 5,6-difluoroindenyl.

  一个金属茂化合物的化学式为(1)：A2YyMXn-2，其中：M是从元素周期表的3、4、5或6组中选择的配位数为n的过渡金属原子，或者是镧系金属原子或锕系金属原子；每个A都是独立的取代多环芳基配体，与M通过π键相连，每个A配体包括至少一个卤素取代基，直接连接到可结合环位置的sp2碳，当每个A是取代吲哚基并且y等于1，配体包括吲哚基的4、5或6位置至少一个氯、溴或碘取代基时，A还包括至少一个吲哚基中的其他取代基，所选取代基包括烃基、取代烃基、卤素、卤代烃基、取代卤代烃基、硅烷基、取代硅烷基、锗烷基、取代锗烷基或其他杂原子取代基，其中杂原子直接与环结构配体的环碳键合，杂原子是硼、15族元素或16族元素，优选硼、氮、氧、磷或硫；Y是一个可选的桥接基团，其中至少包含一个13、14、15或16族元素，并与A的环结构的任何单个位置键合，y为0或1，表示Y的缺失（y=0）或存在（y=1）；每个X是一个一价阴离子配体，或者两个X结合并与金属原子结合形成金属环状化合物，或者两个X结合形成螯合配体、二烯配体或烷基亚甲基配体；但当y等于1时，A不是5,6-二氯吲哚基或在7位置具有氟或氯取代基和在4位置具有烃基或取代烃基取代基的吲哚基团，当y等于0时，A不是5,6-二氟吲哚基。
• 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。
• ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS
  申请人：Basell Polyolefine GmbH

  公开号：EP1692144B1

  公开（公告）日：2010-04-14
• US7446216B2
  申请人：——

  公开号：US7446216B2

  公开（公告）日：2008-11-04
• US7452949B2
  申请人：——

  公开号：US7452949B2

  公开（公告）日：2008-11-18