4,5-dihydro-2,3,4,5-tetramethylcyclopenta[b]thiophen-6-one | 1253693-11-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,5-dihydro-2,3,4,5-tetramethylcyclopenta[b]thiophen-6-one
• 英文别名: 2,3,4,5-tetramethyl-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one；2,3,4,5-Tetramethyl-4,5-dihydrocyclopenta[b]thiophen-6-one
• CAS: 1253693-11-6
• 化学式: C₁₁H₁₄OS
• 分子量: 194.298
• InChiKey: MPCGZZXEQVTCNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4,5-dihydro-2,3,4,5-tetramethylcyclopenta[b]thiophen-6-one 在 sodium tetrahydroborate 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 3.0h， 以83.5%的产率得到2,3,4,5-tetramethyl-6H-cyclopenta[b]thiophene
  参考文献：
  名称：

  전이금속 화합물의 제조방법

  摘要：

  这项发明涉及一种用于烯烃聚合催化剂的过渡金属化合物，例如，涉及一种能够高选择性和高产率地制备含有硫代磷酰基团的配体的过渡金属化合物的制备方法。

  公开号：

  KR20210037457A
• 作为产物：
  描述：

  tigloyl chloride 在 正丁基锂 、 硫酸 作用下， 以 四氢呋喃 、 氯苯 为溶剂， 反应 2.0h， 生成 4,5-dihydro-2,3,4,5-tetramethylcyclopenta[b]thiophen-6-one
  参考文献：
  名称：

  전이금속 화합물의 제조방법

  摘要：

  这项发明涉及一种用于烯烃聚合催化剂的过渡金属化合物，例如，涉及一种能够高选择性和高产率地制备含有硫代磷酰基团的配体的过渡金属化合物的制备方法。

  公开号：

  KR20210037457A

文献信息

• Preparation of half-metallocenes of thiophene-fused and tetrahydroquinoline-linked cyclopentadienyl ligands for ethylene/α-olefin copolymerization
  作者：Ji Hae Park、Seung Hyun Do、Anish Cyriac、Hoseop Yun、Bun Yeoul Lee

  DOI：10.1039/c0dt00637h

  日期：——

  Directed ortho-lithiation of the lithium carbamates generated from tetrahydroquinoline or tetrahydroquinaldine enables one-step preparation of thiophene-fused and tetrahydroquinoline-linked cyclopentadienes [2-R1-3-R2-4,5-dimethyl-6-(2-R3-2,3,4,5-tetrahydroquinolin-8-yl)-4H-cyclopenta[b]thiophene (R1, R2, R3 = H or methyl)], from which titanium(IV) and zirconium(IV) complexes are prepared. The molecular structures of Me2Ti-complexes (12, R1 = R2 = Me, R3 = H; 14, R1 = R2 = R3 = Me) and Cl2Zr-complex (17, R1 = R2 = Me, R3 = H) are determined by X-ray crystallography. The Me2Ti-complexes, 14 and 15 (R1 = R3 = Me, R2 = H) show excellent activities (62 and 54 × 106 g/molTi·h) in ethylene/1-octene copolymerization, even when activated with small amount of MAO (Al/Ti = 1000).

  来源于四氢喹啉或四氢奎啉胺的锂氨基甲酸盐的定向邻位锂化反应实现了硫烯烷基和四氢喹啉连接的环戊二烯的单步合成 [2-R1-3-R2-4,5-二甲基-6-(2-R3-2,3,4,5-四氢喹啉-8-基)-4H-环戊[b]硫烯 (R1, R2, R3 = H 或甲基)]。从中可以制备钛(IV)和锆(IV)络合物。通过X射线晶体学确定了Me2Ti络合物（12，R1 = R2 = Me，R3 = H；14，R1 = R2 = R3 = Me）和Cl2Zr络合物（17，R1 = R2 = Me，R3 = H）的分子结构。Me2Ti络合物14和15（R1 = R3 = Me，R2 = H）在乙烯/1-辛烯共聚合中表现出优异的活性（62和54 × 10^6 g/molTi·h），即使在仅用少量MAO激活（Al/Ti = 1000）的情况下也如此。
• Synthesis of Heterocyclic-Fused Cyclopentadienyl Scandium Complexes and the Catalysis for Copolymerization of Ethylene and Dicyclopentadiene
  作者：Runhai Chen、Changguang Yao、Meiyan Wang、Hongyan Xie、Chunji Wu、Dongmei Cui

  DOI：10.1021/om500992v

  日期：2015.1.26

  adopting a half-sandwich geometry. Upon activation of [Ph3C][B(C6F5)4]/AliBu3, these half-sandwich scandium complexes displayed various activities toward the copolymerization of ethylene (E) and dicyclopentadiene (DCPD). Complex 1, supported by the phenyl-substituted pyrrole-fused cyclopentadienyl ligand, showed a slightly higher activity than the phenyl-substituted thiophene-fused cyclopentadienyl complex

  杂环稠合的环戊二烯基scan双（烷基）配合物L 1 – 4 Sc（CH 2 SiMe 3）2 THF（（5-Me-1-Ph-环戊[ b ]吡咯-4-基）Sc（CH 2 SiMe 3）2 THF（1），（2,5-Me 2 -3-Ph-6 H-环戊[ b ]硫代苯基）Sc（CH 2 SiMe 3）2 THF（2），（2,4,5,6-Me 4 -4 H-环戊[ b ]硫代苯基）Sc（CH 2 SiMe 3）通过烷烃消除反应容易地合成了2 THF（3），（2,3,4,5,6-Me 5 -4 H-环戊[ b ]硫代苯基）Sc（CH 2 SiMe 3）2 THF）（4））。的Sc（CH 2森达3）3（THF）2与杂环稠合的环戊二烯基配体HL 1 - 4以高收率。配合物1 - 4进行了表征1 H和13C NMR光谱学和X射线衍射分析为THF溶剂化单体，采用半夹心几何形状。在[Ph 3 C] [B（C 6
• HYBRID SUPPORTED METALLOCENE CATALYST AND PROCESS FOR PREPARING POLYETHYLENE COPOLYMER USING SAME
  申请人：LG CHEM, LTD.

  公开号：EP3932957A1

  公开（公告）日：2022-01-05

  The present disclosure provides a hybrid supported metallocene catalyst useful for preparing a polyethylene copolymer capable of producing an mLLDPE shrink film having excellent shrinkage and processability with excellent mechanical properties, and a process for preparing a polyethylene copolymer using the same.

  本公开提供了一种可用于制备聚乙烯共聚物的杂化支撑茂金属催化剂，该聚乙烯共聚物能够生产出具有优异收缩性和加工性以及优异机械性能的 mLLDPE 收缩膜，本公开还提供了一种使用该催化剂制备聚乙烯共聚物的工艺。
• Preparation of half-titanocenes of thiophene-fused trimethylcyclopentadienyl ligands and their ethylene copolymerization reactivity
  作者：Eun Seok Park、Ji Hae Park、Hoseop Yun、Bun Yeoul Lee

  DOI：10.1016/j.jorganchem.2011.03.014

  日期：2011.6

  Methylthiophene-fused or dimethylthiophene-fused trimethylcyclopentadienyltitanium trichloride complexes, (eta(5)-Me4RC7S) TiCl3 (R = Me or H), are prepared, from which a chloride ligand is replaced with 2,6-diisopropylphenoxy, di(tert-butyl) ketimide, or tri(tert-butyl) phosphinimide ligand to yield (eta(5)-Me4RC7S)TiXCl2 (11, R Me, X iPr(2)C(6)H(3)O-; 12, R = H, X = iPr(2)C(6)H(3)O-; 13, R Me, X tBu(2)C N-; 14, R = H, X = tBu(2)C N-; 15, R Me, X = tBu(3)P Ne; 16, R = H, X = tBu(3)P Ne). The molecular structures of 11, 14, and 16 are confirmed by X-ray crystallography. The Cp(centroid)-Ti-N angles of 11, 14, and 16 (119.83 degrees, 111.98 degrees, and 125.34 degrees, respectively) are significantly larger than the corresponding angle observed for the related thiophene-fused and tetrahydroquinaldine-linked cyclopentadienyl complex (1), [(eta(5)-(Me4C7S)-(2-MeC9H9N-kN)] TiMe2 (106.6 degrees). The phenoxy complexes 11 and 12 shownegligible activity, while the ketimido and phosphinimido complexes 13-16 exhibit good activities (5-20 x 10(6) g/molTi h) for ethylene/1-octene copolymerization. The ketimido-complexes 13 and 14 are able to incorporate a high amount of 1-octene (15-16 mol%), while the phosphinimido-complexes 15 and 16 are not as capable (8 mol % 1-octene) under the identical polymerization conditions. The catalytic performance of 13-16 is inferior to 1 in terms of activity and comonomer incorporation. (C) 2011 Elsevier B.V. All rights reserved.
• Hybrid Supported Metallocene Catalyst and Process for Preparing Polyethylene Copolymer Using the Same
  申请人：LG Chem, Ltd.

  公开号：US20220162353A1

  公开（公告）日：2022-05-26

  The present disclosure provides a hybrid supported metallocene catalyst useful for preparing a polyethylene copolymer capable of producing an mLLDPE shrink film having excellent shrinkage and processability with excellent mechanical properties, and a process for preparing a polyethylene copolymer using the same. The hybrid supported metallocene catalyst comprises at least one first metallocene compound selected from compounds represented by the following Chemical Formula 1 and at least one second metallocene compound selected from compounds represented by the following Chemical Formula 2: wherein the variables are described herein.