4(7)-chloro-2-methyl-1(3)H-indene | 468756-77-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 4(7)-chloro-2-methyl-1(3)H-indene
• 英文别名: 7-chloro-2-methyl-1H-indene；2-methyl-7-chloroindene；7-chloro-2-methylindene
• CAS: 468756-77-6
• 化学式: C₁₀H₉Cl
• 分子量: 164.634
• InChiKey: KCWZBTAORNNKFH-UHFFFAOYSA-N

物化性质

• 沸点：
  249.8±29.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  4(7)-chloro-2-methyl-1(3)H-indene 、 苯基溴化镁 生成 2-甲基-7-苯基-1H-茚.
  参考文献：
  名称：

  Coupling reactions of 2-substituted, 7-haloindenes with aryl

  摘要：

  描述了小说2-取代7-卤代茚烯和合成这种茚烯的方法。这些2-取代7-卤代茚烯可以与任何芳基团偶联，以产生金属茂嗪催化剂中间体。

  公开号：

  US05789634A1
• 作为产物：
  描述：

  4-chloro-2-methyl-2,3-dihydro-1H-inden-1-ol 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 4(7)-chloro-2-methyl-1(3)H-indene 、 4-氯-2-甲基-1H-茚
  参考文献：
  名称：

  WO2007/70041

  摘要：

  公开号：

文献信息

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

  公开号：US20070135595A1

  公开（公告）日：2007-06-14

  A metallocene compound is represented by the formula (1): wherein: M is a Group 3, 4, 5 or 6 transition metal atom, or a lanthanide metal atom, or actinide metal atom, preferably a Group 4 transition metal atom selected from titanium, zirconium or hafnium; E is a substituted or unsubstituted monocyclic or polycyclic arenyl ligand pi-bonded to M; A is a substituted or unsubstituted polycyclic arenyl ligand that is pi-bonded to M and has a different ring structure than the E ligand; at least one of the A and E ligands includes at least one halogen substituent directly bonded to an sp 2 carbon at a bondable ring position; Y is a bridging group containing at least one Group 13, 14, 15, or 16 element and any single position of the ring structure of A and to any single position of the ring structure of E; and y is zero or 1, indicating the absence (y=0) or presence (y=1) of Y; and 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 E is an unsubstituted cyclopentadienyl ligand, either y is one or A is not 2-bromofluorenyl or 2,7-dibromofluorenyl.

  一个茂金属化合物的化学式如下（1）：其中：M是3、4、5或6族过渡金属原子，或镧系金属原子，或锕系金属原子，最好是从钛、锆或铪中选择的4族过渡金属原子；E是与M形成π键的取代或未取代的单环或多环芳基配体；A是与M形成π键且具有不同环结构于E配体的取代或未取代的多环芳基配体；A和E中至少一个包括至少一个卤素取代基，直接连接到可成键环位置的sp2碳上；Y是一个含有至少一个13、14、15或16族元素的桥联基，连接到A和E的环结构的任意单位置；y为0或1，表示Y的存在（y=0）或不存在（y=1）；每个X是一个一价阴离子配体，或两个X连接并与金属原子结合形成一个茂环，或两个X连接形成螯合配体、二烯配体或烷基亚甲基配体；但当E是未取代的环戊二烯基配体时，y为1或A不是2-溴萘基或2,7-二溴萘基。
• Preparation of substituted bridged indenyl and related ligands
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135596A1

  公开（公告）日：2007-06-14

  A process for preparing a chelating ligand of the formula (II) from a chelating ligand of the formula (I) via an sp 2 -sp 2 or sp 2 -sp 3 coupling reaction with an organometallic compound of the formula (III). wherein B is a bridging group that is bonded to L 1 and L 2 in formula (I) and to L 3 and L 4 in formula (II); L 1 is a substituted monocyclic or polycyclic ligand that comprises at least one chlorine, bromine, iodine, or sulfonate substituent, directly bonded to an sp 2 carbon atom of the ring structure of the ligand; L 2 is a monoanionic ligand; or L 2 may, independently, be defined as L 1 ; L 3 is the same group as L 1 , but said at least one chlorine, bromine, iodine, or sulfonate substituent is replaced with a hydrocarbyl, substituted hydrocarbyl, halocarbyl, or substituted halocarbyl fragment; L 4 is the same group as L 2 , though, when L 2 is defined as L 1 , L 4 may be the same as L 3 or L 1 ; R 1 is a hydrocarbyl, substituted hydrocarbyl, halocarbyl, or substituted halocarbyl; M 1 is an element of group 1, 2, 12, 13 or 14 of the Periodic Table of the Elements; each X 2 , if present, is selected independently from the group consisting of halogen atoms, the hydroxyl group, alkoxy groups, aryloxy groups, mesylate, tosylate and triflate; r is 1, 2 or 3, and t is 0, 1 or 2, where r+t corresponds to the oxidation number of M 1 .

  从化学配体的公式(I)通过与公式(III)的有机金属化合物进行sp2-sp2或sp2-sp3偶联反应，制备化学配体的公式(II)的方法。其中B是一个桥联基团，与公式(I)中的L1和L2以及公式(II)中的L3和L4结合；L1是一个取代的单环或多环配体，至少包含一个氯、溴、碘或磺酸酯取代基，直接与配体的环结构的sp2碳原子键合；L2是一个单负离子配体；或者L2可以独立地被定义为L1；L3与L1相同，但所述的至少一个氯、溴、碘或磺酸酯取代基被氢化碳基、取代的氢化碳基、卤代碳基或取代的卤代碳基片段所取代；L4与L2相同，但当L2被定义为L1时，L4可以与L3或L1相同；R1是一个氢化碳基、取代的氢化碳基、卤代碳基或取代的卤代碳基；M1是元素周期表第1、2、12、13或14组的元素；每个X2，如果存在，可独立地选择自卤素原子、羟基、烷氧基、芳基氧基、甲磺酸酯、对甲苯磺酸酯和三氟甲磺酸酯组成的群；r为1、2或3，t为0、1或2，其中r+t对应于M1的氧化数。
• Palladium-catalyzed arylation of bis(4-bromo-2-methylinden-1-yl)dimethylsilane and related compounds
  作者：M. V. Nikulin、A. A. Tsarev、A. V. Lygin、A. N. Ryabov、I. P. Beletskaya、A. Z. Voskoboinikov

  DOI：10.1007/s11172-008-0325-z

  日期：2008.11

  the synthesis of a broad range of ansa-zirconocenes containing bis(2-methyl-4-arylindenyl)dimethylsilane ligands. The method is based on the palladium-catalyzed reaction of halogen-substituted bis(indenyl)dimethylsilanes with various organozinc compounds. The aryl-substituted bridging ligands thus prepared serve as the starting compounds for the synthesis of ansa-zirconocenes, which can be used as components

  开发了一种新方法，用于合成广泛的含有双（2-甲基-4-芳基茚基）二甲基硅烷配体的柄型锆茂。该方法基于钯催化的卤素取代的双（茚基）二甲基硅烷与各种有机锌化合物的反应。如此制备的芳基取代的桥连配体可作为合成 ansa-zirconocenes 的起始化合物，其可用作丙烯聚合反应催化剂的组分。
• Coupling reactions of 2-substituted, 7-haloindenes with aryl substituents to produce metallocene catalyst ligands
  申请人：Boulder Scientific Company

  公开号：US06465700B1

  公开（公告）日：2002-10-15

  Novel 2-substituted 7-haloindenes and methods for synthesizing such indenes are described. The 2-substituted 7-haloindenes may be coupled with any aryl group to produce a metallocene catalyst intermediate.

  描述了新型2-取代的7-卤代茚烯类化合物以及合成这类茚烯类化合物的方法。这些2-取代的7-卤代茚烯类化合物可以与任何芳基团偶联，产生一种金属环烯催化剂中间体。
• 2-substituted 7-haloindenes and methods for synthesizing
  申请人：Boulder Scientific Company

  公开号：US06075171A1

  公开（公告）日：2000-06-13

  Novel 2-substituted 7-haloindenes and methods for synthesizing such indents are described. The 2-substituted 7-haloindenes may be coupled with any aryl group to produce a metallocene catalyst intermediate.

  描述了新型的2-取代的7-卤代茚烯类化合物以及合成这种化合物的方法。这些2-取代的7-卤代茚烯类化合物可以与任何芳基团偶联，形成一种金属茂中间体催化剂。