1-bromo-3-(tert-butyl)-2-(methoxymethoxy)-5-methylbenzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-bromo-3-(tert-butyl)-2-(methoxymethoxy)-5-methylbenzene
• 英文别名: 1-Bromo-2-methoxymethyloxy-3-tert-butyl-5-methylbenzene；1-bromo-3-tert-butyl-2-(methoxymethoxy)-5-methylbenzene
• 化学式: C₁₃H₁₉BrO₂
• 分子量: 287.197
• InChiKey: AYVLPBZRYLTUIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-bromo-3-(tert-butyl)-2-(methoxymethoxy)-5-methylbenzene 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 氯仿 、 甲苯 为溶剂， 反应 3.52h， 生成 dimethylhafnium [6,6′-(pyridine-2,6-diylbis(benzo[b]thiophene-3,2-diyl))bis(2-(tert-butyl)-4-methylphenolate)]
  参考文献：
  名称：

  Lewis Base Catalysts and Methods Thereof

  摘要：

  本公开涉及路易斯碱催化剂。本公开的催化剂、催化剂体系和工艺可以提供高温乙烯聚合、丙烯聚合或共聚合，因为路易斯碱催化剂在高聚合温度下能够稳定，并且在高聚合温度下具有良好的活性。具有良好活性的稳定催化剂可以提供具有高熔点、高异构度和可控分子量的聚合物形成，并且相比传统催化剂，能够在给定反应器中生产更多量的聚合物。因此，本公开展示了能够在高反应器温度下运行的高活性催化剂，同时生产具有可控分子量和/或强偏晶性的聚合物。

  公开号：

  US20200255555A1
• 作为产物：
  描述：

  叔-丁基对甲酚 在 溴 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 17.83h， 生成 1-bromo-3-(tert-butyl)-2-(methoxymethoxy)-5-methylbenzene
  参考文献：
  名称：

  WO2008/36882

  摘要：

  公开号：

文献信息

• Transition metal complex, catalyst for olefin polymerization, and
  申请人：Sumitomo Chemical Company, Limited

  公开号：US06066704A1

  公开（公告）日：2000-05-23

  A transition metal complex represented by the formula [1] ##STR1## wherein M is a transition metal atom of the group 4 of the periodic table of elements; Cp is a group having a cyclopentadiene type anionic skeleton; A and G are each a divalent residue containing an atom of the group 15 or 16 of the periodic table of elements and may be the same with or different from each other; X.sup.1, X.sup.2, R.sup.1, R.sup.2, R.sup.3 and R.sup.4 are each independently a hydrogen atom, halogen atom, alkyl group with the number of carbon atoms of 1-20 optionally substituted with at least one halogen atom, aralkyl group with the number of carbon atoms of 7-20 optionally substituted with at least one halogen atom, aryl group with the number of carbon atoms of 6-20 optionally substituted with at least one halogen atom, substituted silyl group with the number of carbon atoms of 1-20 optionally substituted with at least one halogen atom, alkoxy group with the number of carbon atoms of 1-20 optionally substituted with at least one halogen atom, aralkyloxy group with the number of carbon atoms of 7-20 optionally substituted with at least one halogen atom, aryloxy group with the number of carbon atoms of 6-20 optionally substituted with at least one halogen atom or a di-substituted amino group with the number of carbon atoms of 2-20, provided that R.sup.1, R.sup.2, R.sup.3 and R.sup.4 may optionally combine with each other to form a ring; L is a Lewis base and w is an integer of 0-2, an olefin polymerization catalyst and a process for producing olefin polymers which uses the catalyst.

  一种由以下公式表示的过渡金属配合物 [1] ##STR1## 其中M是元素周期表第4族的过渡金属原子；Cp是具有环戊二烯型阴离子骨架的基团；A和G分别是含有元素周期表第15或16族原子的二价残基，彼此可以相同也可以不同；X.sup.1、X.sup.2、R.sup.1、R.sup.2、R.sup.3和R.sup.4分别独立地是氢原子、卤素原子、碳原子数为1-20的烷基基团，可选择地用至少一个卤素原子取代，碳原子数为7-20的芳基烷基基团，可选择地用至少一个卤素原子取代，碳原子数为6-20的芳基基团，可选择地用至少一个卤素原子取代，碳原子数为1-20的取代硅基团，可选择地用至少一个卤素原子取代，碳原子数为1-20的烷氧基团，可选择地用至少一个卤素原子取代，碳原子数为7-20的芳基烷氧基团，可选择地用至少一个卤素原子取代，碳原子数为6-20的芳氧基团，可选择地用至少一个卤素原子取代或碳原子数为2-20的二取代氨基团，前提是R.sup.1、R.sup.2、R.sup.3和R.sup.4可以选择地结合在一起形成环；L是一种路易斯碱，w是0-2的整数，一种烯烃聚合催化剂以及使用该催化剂生产烯烃聚合物的方法。
• A Thermodynamic Analysis of Rhenium(I)–Formyl C–H Bond Formation via Base-Assisted Heterolytic H₂ Cleavage in the Secondary Coordination Sphere
  作者：Thomas S. Teets、Jay A. Labinger、John E. Bercaw

  DOI：10.1021/om400810v

  日期：2013.10.14

  a mixture of carbon monoxide and hydrogen, into value-added Cn≥2 products requires both C–H and C–C bond-forming events. Our group has developed a series of molecular complexes, based on group 7 (manganese and rhenium) carbonyl complexes, to interrogate the elementary steps involved in the homogeneous hydrogenative reductive coupling of CO. Here, we explore a new mode of H2 activation, in which strong

  合成气，一氧化碳和氢的混合物，转化成有附加值-C Ñ ≥2产品既需要C-H和C-C键形成的事件。我们小组基于第7组（锰和rh）羰基配合物开发了一系列分子配合物，以询问参与CO均相加氢还原偶联的基本步骤。在这里，我们探索了一种H 2活化的新模式在次级配位球中的强碱的位置被定位为有助于H 2的杂合裂解，从而在a结合的羰基上形成甲酰基C–H键。一系列所述类型的阳离子铼（I）配合物的[再我（P~B：-κ 1 -P）（CO）5 ]制备并表征n（ n＝ 0，+ 1），其中P〜B：为具有拴系的强碱的膦配体。质子平衡的测量表明，配位后碱度明显降低。由这些配体支持甲酰基配合物可以通过在氢化物输送到母体五羰基络合物良好的产率制备，并且几个游离碱甲酰基复合物的可被质子化，产生可观察到的[再我（P~BH-κ 1 -P）（ CHO）（CO） 4 ] n配合物。分子内氢键对于一种配合物是明显的，为质子化的甲酰基配合物
• TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP0842939A1

  公开（公告）日：1998-05-20

  A transition metal complex represented by the formula (1) wherein M1 is a transition metal atom of the group 4 of the periodic table of elements, A is an atom of the group 16 of the periodic table of elements, and B is an atom of the group 14 of the periodic table of elements; Cp1 is a group having a cyclopentadiene type anionic skeleton; and X1, X2, R1, R2, R3, R4, R5 and R6 are each independently a hydrogen atom, halogen atom, alkyl group with the number of carbon atoms of 1-20 optionally substituted with at least one halogen atom, aralkyl group with the number of carbon atoms of 7-20 optionally substituted with at least one halogen atom, aryl group with the number of carbon atoms of 6-20 optionally substituted with at least one halogen atom, substituted silyl group with the number of carbon atoms of 1-20 optionally substituted with at least one halogen atom, alkoxy group with the number of carbon atoms of 1-20 optionally substituted with at least one halogen atom, aralkyloxy group with the number of carbon atoms of 7-20 optionally substituted with at least one halogen atom or aryloxy group with the number of carbon atoms of 6-20 optionally substituted with at least one halogen atom, or di-substituted amino group with the number of carbon atoms of 2-20, provided that R1, R2, R3, R4, R5 and R6 may optionally combine with each other to form a ring; a process for producing the same; an olefin polymerization catalyst containing the transition metal complex; and a process for producing olefin polymers.

  一种由式（1）表示的过渡金属配合物 其中 M1 是元素周期表中第 4 族的过渡金属原子，A 是元素周期表中第 16 族的原子，B 是元素周期表中第 14 族的原子；Cp1 是具有环戊二烯型阴离子骨架的基团；X1、X2、R1、R2、R3、R4、R5 和 R6 各自独立地为氢原子、卤素原子、碳原子数为 1-20 的烷基（可选地被至少一个卤素原子取代）、碳原子数为 7-20 的芳烷基（可选地被至少一个卤素原子取代）、碳原子数为 6-20 的芳烷基（可选地被至少一个卤素原子取代）、碳原子数为 1-20 的取代硅烷基（可选地被至少一个卤素原子取代）、碳原子数为 1-20 个、可任选被至少一个卤素原子取代的烷氧基，碳原子数为 7-20 个、可任选被至少一个卤素原子取代的烷氧基，或碳原子数为 6-20 个、可任选被至少一个卤素原子取代的芳氧基，或碳原子数为 2-20 个的二取代氨基，条件是 R1、R2、R3、R4、R5 和 R6 可任选相互结合形成一个环；生产上述物质的工艺；含有过渡金属复合物的烯烃聚合催化剂；以及生产烯烃聚合物的工艺。
• Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1498178A2

  公开（公告）日：2005-01-19

  A transition metal complex represented by the formula (1) wherein M1 is a transition metal atom of the group 4 of the periodic table of elements; A is an atom of the group 16 of the periodic table of elements, and B is an atom of the group 14 of the periodic table of elements; Cp1 is a group having a cyclopentadiene type anionic skeleton; and X1, X2, R1, R2, R3, R4, R5 and R6 are each independently a hydrogen atom, halogen atom, alkyl group with the number of carbon atoms of 1-20 optionally substituted with at least one halogen atom, aralkyl group with the number of carbon atoms of 7-20 optionally substituted with at least one halogen atom, aryl group with the number of carbon atoms of 6-20 optionally substituted with at least one halogen atom, substituted silyl group with the number of carbon atoms of 1-20 optionally substituted with at least one halogen atom, alkoxy group with the number of carbon atoms of 1-20 optionally substituted with at least one halogen atom, aralkyloxy group with the number of carbon atoms of 7-20 optionally substituted with at least one halogen atom or aryloxy group with the number of carbon atoms of 6-20 optionally substituted with at least one halogen atom, or di-substituted amino group with the number of carbon atoms of 2-20, provided that R1, R2, R3, R4, R5 and R6 may optionally combine with each other to form a ring; a process for producing the same; an olefin polymerization catalyst containing the transition metal complex; and a process for producing olefin polymers.

  一种由式（1）表示的过渡金属配合物 其中 M1 是元素周期表中第 4 族的过渡金属原子；A 是元素周期表中第 16 族的原子，B 是元素周期表中第 14 族的原子；Cp1 是具有环戊二烯型阴离子骨架的基团；X1、X2、R1、R2、R3、R4、R5 和 R6 各自独立地为氢原子、卤素原子、碳原子数为 1-20 的烷基（可选地被至少一个卤素原子取代）、碳原子数为 7-20 的芳烷基（可选地被至少一个卤素原子取代）、碳原子数为 6-20 的芳烷基（可选地被至少一个卤素原子取代）、碳原子数为 1-20 的取代硅烷基（可选地被至少一个卤素原子取代）、碳原子数为 1-20 个、可任选被至少一个卤素原子取代的烷氧基，碳原子数为 7-20 个、可任选被至少一个卤素原子取代的烷氧基，或碳原子数为 6-20 个、可任选被至少一个卤素原子取代的芳氧基，或碳原子数为 2-20 个的二取代氨基，条件是 R1、R2、R3、R4、R5 和 R6 可任选相互结合形成一个环；生产上述物质的工艺；含有过渡金属复合物的烯烃聚合催化剂；以及生产烯烃聚合物的工艺。
• Lewis base catalysts and methods thereof
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US11214634B2

  公开（公告）日：2022-01-04

  The present disclosure relates to Lewis base catalysts. Catalysts, catalyst systems, and processes of the present disclosure can provide high temperature ethylene polymerization, propylene polymerization, or copolymerization as the Lewis base catalysts can be stable at high polymerization temperatures and have good activity at the high polymerization temperatures. The stable catalysts with good activity can provide formation of polymers having high melting points, high isotacticity, and controllable molecular weights, and the ability to make an increased amount of polymer in a given reactor, as compared to conventional catalysts. Hence, the present disclosure demonstrates highly active catalysts capable of operating at high reactor temperatures while producing polymers with controlled molecular weights and or robust isotacticity.

  本公开涉及路易斯碱催化剂。本公开的催化剂、催化剂体系和工艺可提供高温乙烯聚合、丙烯聚合或共聚合，因为路易斯碱催化剂可在高聚合温度下保持稳定，并在高聚合温度下具有良好的活性。与传统催化剂相比，具有良好活性的稳定催化剂可形成具有高熔点、高异构性和可控分子量的聚合物，并能在给定反应器中制造更多数量的聚合物。因此，本公开展示了高活性催化剂，这种催化剂能够在反应器高温下运行，同时生产出分子量可控的聚合物，或具有较强的等活度。