1,4,5,8-tetramethylanthraquinone | 17538-63-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,4,5,8-tetramethylanthraquinone
• 英文别名: 1,4,5,8-tetramethyl-anthraquinone；1,4,5,8-Tetramethyl-anthrachinon；1,4,5,8-Tetramethyl-9,10-anthrachinon；1,4,5,8-Tetramethylanthrachinon；1,4,5,8-tetramethylanthracene-9,10-dione
• CAS: 17538-63-5
• 化学式: C₁₈H₁₆O₂
• 分子量: 264.324
• InChiKey: PFWJQQCRPMDSPH-UHFFFAOYSA-N

物化性质

• 熔点：
  238-239 °C(Solv: acetic acid (64-19-7))
• 沸点：
  448.2±45.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4,5,8-tetramethylanthraquinone 在 溶剂黄146 、 锌 作用下， 以 吡啶 、 xylene 为溶剂， 反应 1.5h， 生成 9,10-dihydro-9,10-(1',2'-dicarbomethoxy)etheno-1,4,5,8-tetramethylanthracene
  参考文献：
  名称：

  cyclooctatrienyne的稳定衍生物：1,4,7,10-四甲基-5,6- didehydrodibenzo的合成[和晶体结构A，E ]环辛烯和1,4,7,10- tetramethyldibenzo [ A，E ]环辛烯

  摘要：

  合成并充分表征了环辛三烯炔（1）的稳定衍生物，即1,4,7,10-四甲基-5,6-二氢二苯并-[ a，e ]环辛烯（3）。X射线晶体学分析表明，3采用了“蝴蝶”构象的那些之间的中间平面几乎5,6- didehydrodibenzo- [ A，E ]环辛烯（2）和盆形1,4,7,10- tetramethyldibenzo [一，e ]环辛烯（16）。的甲基取代基有效地屏蔽的否则而暴露应变三键3和动力学稳定靠在二聚化和/或空气氧化。

  DOI：

  10.1016/s0040-4020(01)87466-4
• 作为产物：
  描述：

  3,6-dimethyl-2-(2,5-dimethylbenzoyl)benzoic acid, pseudo form 在 硫酸 作用下， 反应 1.5h， 以51%的产率得到1,4,5,8-tetramethylanthraquinone
  参考文献：
  名称：

  1,4,7,10-四甲基-5,6-二氢二苯并[ a，e ]环辛烯。大概是平面的完全共轭的八元环化合物。

  摘要：

  5,6-二氢二苯并[ a，e ]环辛烯（1）的第一个已知稳定晶体衍生物为1,4,7,10-四甲基-5,6-二氢二苯并[ a，e ]环辛烯（2）。准备和明确表征。

  DOI：

  10.1016/s0040-4039(00)85716-0

文献信息

• Discovery and Optimization of New Chromium Catalysts for Ethylene Oligomerization and Polymerization Aided by High-Throughput Screening
  作者：David J. Jones、Vernon C. Gibson、Simon M. Green、Peter J. Maddox、Andrew J. P. White、David J. Williams

  DOI：10.1021/ja0518171

  日期：2005.8.1

  (p-tolyl)CrCl2(thf)3, identified two new classes of highly active chromium based systems for the oligomerization and polymerization of ethylene, respectively. The polymerization system comprises bidentate ortho-substituted anthracenyl Schiff bases bearing small primary or secondary alkyl imine substituents. The oligomerization catalysts are based upon tridentate ortho-triptycenyl-substituted Schiff bases with pyridylmethyl

  205 个成员席夫碱水杨醛亚胺配体文库的高通量筛选 (HTS)，源自带有大量邻位取代基的水杨醛，即 9-蒽基、1,4,5,8-四甲基蒽基或三烯基，与 (p- tolyl)CrCl2(thf)3，确定了两类新的高活性铬基体系，分别用于乙烯的低聚和聚合。聚合体系包含带有小的伯或仲烷基亚胺取代基的二齿邻位取代的蒽基席夫碱。低聚催化剂基于具有吡啶基甲基或喹啉基取代基的三齿邻三烯基取代的席夫碱。验证测试证实聚合催化剂体系的聚合生产率高达 3000 gx mmol(-1)h(-1)bar(-1)，而低聚催化剂的生产率高达 10 000 gx mmol(-1)h(-1) ) 条 (-1)。关键催化剂前体已通过 X 射线晶体学表征。
• Constituents of high-boiling petroleum distillates. Part XII. Isolation and synthesis of some methylanthracenes
  作者：W. Carruthers、H. N. M. Stewart、P. G. Hansell、K. M. Kelly

  DOI：10.1039/j39670002607

  日期：——

  hydrocarbons previously isolated from a Kuwait mineral oil have been identified as 1,3,6,8- and 1,4,5,8-tetramethylanthracene. 1,3,6,7- and 2,3,6,7-Tetramethylanthracene have been isolated from a high-boiling fraction of an Oklahoma oil. Syntheses of 1,3,6- and 1,3,7-trimethyl-, and of 1,3,5,7-, 1,3,6,8-, and 1,4,5,8-tetramethyl-anthracene are described. The 1,3,6-trimethyl- and 1,3,6,8- and 1,4,5,8-tetramethyl

  先前从科威特矿物油中分离出的两种烃已被鉴定为1,3,6,8-和1,4,5,8-四甲基蒽。从俄克拉荷马州油的高沸点馏分中分离出1,3,6,7-和2,3,6,7-四甲基蒽。1,3,6-和1,3,7-三甲基-和1,3,5,7-，1,3,6,8-和1,4,5,8-四甲基蒽的合成被描述。1,3,6-三甲基和1,3,6,8-和1,4,5,8-四甲基化合物在文献中有错误的描述。
• 1,4,7,10-tetramethyl-5,6-didehydrodibenzo[a,e]cyclooctene. A presumably planar fully conjugated eight-membered ring compound.
  作者：Nai Zheng Huang、Jian Hua Jia、Li Li Wang、Tze-Lock Chan、Thomas C.W. Mak

  DOI：10.1016/s0040-4039(00)85716-0

  日期：1982.1

  The first known stable crystalline derivative of 5,6-didehydrodibenzo[a,e]cyclooctene (1), namely, 1,4,7,10-tetramethyl-5,6-didehydrodibenzo[a,e]cyclooctene (2), was prepared and unequivocally characterised.

  5,6-二氢二苯并[ a，e ]环辛烯（1）的第一个已知稳定晶体衍生物为1,4,7,10-四甲基-5,6-二氢二苯并[ a，e ]环辛烯（2）。准备和明确表征。
• Novel polymerisation catalysts
  申请人：——

  公开号：US20040087436A1

  公开（公告）日：2004-05-06

  Novel complexes having the formula (I) are disclosed, wherein M is a Group 6 metal and T is its oxidation state; X represents an atom or group covalenty or ionically bonded to M; b is the valency of the atom or group X; L is a group datively bound to M, and n is from 0 to 4; Z is oxygen or sulphur; A 1 to A 3 are each independently N or P or CR, with the provisio that at least one is CR; R 1 is a polycyclic hydrocarbyl group; Q is CR 5 , PR 5 R 5 or N; each R and R 5 to R 7 are all independently selected from hydrogen, halogen, hydrocarbyl, substituted hydrocarbyl, heterohydrocarbyl or SiR′ 3 where each R′ is independently selected from hydrogen, halogen, hydrocarbyl, substituted hydrocarbyl, heterohydrocarbyl, substituted heterohydrocarbyl, and any two or more of each R and R 5 to R 7 may be linked to form cyclic substituents. These complexes have utility as catalysts for the polymerisation of 1-olefins. 1

  本发明揭示了具有式（I）的新型配合物，其中M是第6族金属，T是其氧化态；X表示与M共价键或离子键结合的原子或基团；b是原子或基团X的价；L是与M成为双电子键的基团，n为0至4；Z为氧或硫；A1至A3各自独立地为N或P或CR，但至少有一个为CR；R1是多环烃基团；Q为CR5，PR5R5或N；每个R和R5至R7都是独立选择的氢、卤素、烃基、取代烃基、杂烃基或SiR′3，其中每个R′独立地选择为氢、卤素、烃基、取代烃基、杂烃基、取代杂烃基，任意两个或两个以上的R和R5至R7可以连接形成环状取代基团。这些配合物在1-烯烃聚合催化剂方面具有实用性。
• Polymerisation catalyst
  申请人：Green Simon

  公开号：US20050227860A1

  公开（公告）日：2005-10-13

  A catalyst for polymerising 1-olefins, comprising (a) a tetradentate ligand I and II as illustrated in the specification wherein; D and D′ are phosphorus or nitrogen; Q and Q are bridging groups forming part of a ring; B is a bridging group between D and D′; R 1 and R 9 are each independently a polar group or phenyl, naphthyl, anthryl, phenanthryl, triptycyl or a heteroaromatic ring; R 5 to R 8 are selected from hydrogen, halogen, hydrocarbyl, heterohydrocarbyl, NR′ 2 , PR′ 2 , OR′, SR′ or SiR′ 3 where each R′ is independently selected from hydrogen, halogen, hydrocarbyl, heterohydrocarbyl, and any adjacent groups may be joined together to form a ring; in the case I, A and A′ are independently OH, 0 − , SH, S − , NR″H, R″N − , PR″H or R″P − ; and in the case II A and A′ are independently NH, N − , PH or P − , where R″ is defined as for groups R 5 to R 9 above; and R 5 and R 5′ , R 6 and R 6′ , or R 7 and R 8 may be joined together to form a ring; (b) a source of Group 3 to 10 transition metal or a lanthanide metal and optionally (c) an activator. Also claimed are transition metal complexes of the ligands and a process for (co)polymerising 1-olefins.

  一种用于聚合1-烯烃的催化剂，包括（a）如规范中所示的四齿配体I和II，其中；D和D′为磷或氮；Q和Q为桥连基，形成环的一部分；B是D和D′之间的桥连基；R1和R9分别独立地为极性基团或苯基，萘基，蒽基，菲基，三环基或杂环芳基；R5至R8选自氢，卤素，烃基，杂烃基，NR′2，PR′2，OR′，SR'或SiR′3，其中每个R′独立地选自氢，卤素，烃基，杂烃基，任何相邻的基团可以结合在一起形成环；在情况I中，A和A′分别独立为OH，0−，SH，S−，NR″H，R″N−，PR″H或R″P−；在情况II中，A和A′分别独立为NH，N−，PH或P−，其中R″如上述R5至R9基团所定义；并且R5和R5′，R6和R6′或R7和R8可以结合在一起形成环；（b）第3至10族过渡金属或镧系金属的来源；和可选的（c）活化剂。还声明了配体的过渡金属配合物以及聚合1-烯烃的（共）聚合过程。