7-fluorobornadiene | 62791-42-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 7-fluorobornadiene
• 英文别名: 7-Fluor-norbornadien；7-Fluorobicyclo[2.2.1]hepta-2,5-diene
• CAS: 62791-42-8
• 化学式: C₇H₇F
• 分子量: 110.131
• InChiKey: HQFQVOXZENSWNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  Bicyclo<2.2.1>heptadien-(2.5)-yl-(7)-Li 在 2-fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole-1,1-dioxide 作用下， 生成 7-fluorobornadiene
  参考文献：
  名称：

  一些降冰片-7-基氟化物衍生物的 19F 和 13C NMR 研究

  摘要：

  合成了一系列降冰片-7-基氟，并记录了它们的 19F 和 13C NMR 光谱。研究了 19F 化学位移趋势和单键碳氟偶联常数 (1JCF)，并根据 7-降冰片基氟 (4)、7-抗降冰片基氟 (7)、7- 的计算几何形状进行了讨论。顺降冰片烯基氟 (9)、7-氟降冰片二烯 (3) 及其氢类似物。最重要的是，在降冰片基骨架骨架中引入一个与碳-氟键相反的双键被清楚地显示出诱导大的低场氟位移。相比之下，在双键顺式排列的情况下，相应的影响非常小。大抗效应的起源归因于中性同超共轭 (π→σCF*)。

  DOI：

  10.1002/(sici)1097-458x(199609)34:9<675::aid-omr937>3.0.co;2-2

文献信息

• CATALYST COMPOSITION FOR PREPARING ELASTIC COPOLYMER, AND METHOD FOR PREPARING ELASTIC COPOLYMER, WHICH COMPRISES ETHYLENE AND ALPHA-OLEFIN OR ETHYLENE, ALPHA-OLEFIN AND UNCONJUGATED DIENE, BY USING SAME
  申请人：KUMHO POLYCHEM CO., LTD.

  公开号：US20200270382A1

  公开（公告）日：2020-08-27

  The present invention relates to a method for preparing an ethylene-based elastic copolymer, and more particularly, to a method for preparing an ethylene-based elastic copolymer by using a catalyst composition for preparing an ethylene-based elastic copolymer, the catalyst composition comprising a binuclear constrained geometry transition metal compound, as a main catalyst, having a structural advantage to obtain a high-molecular-weight ethylene-based elastic copolymer due to a high polymerization activity and comonomer reactivity because the binuclear constrained geometry transition metal compound has a structure in which cyclopentadiene ligands of two constrained geometry catalysts are linked by 1,4-phenylene, and one or more cocatalyst compounds selected from the group consisting of an organoaluminum compound, an organoaluminoxane compound, and a boron compound.

  本发明涉及一种制备乙烯基弹性共聚物的方法，更具体地，涉及一种使用催化剂组合物制备乙烯基弹性共聚物的方法，该催化剂组合物包括双核约束几何过渡金属化合物作为主催化剂，由于双核约束几何过渡金属化合物具有环戊二烯配体的结构，两个约束几何催化剂的环戊二烯配体通过1,4-苯基相连，因此具有高聚合活性和共聚单体反应性的结构优势，能够获得高分子量的乙烯基弹性共聚物。催化剂组合物还包括从有机铝化合物、有机铝氧烷化合物和硼化合物组成的群体中选择的一个或多个协同催化剂化合物。
• METAL-LIGAND COMPLEX, CATALYST COMPOSITION COMPRISING SAME FOR ETHYLENE BASED POLYMERIZATION, AND METHOD FOR PREPARING ETHYLENE-BASED POLYMER BY USING SAME
  申请人：SABIC SK NEXLENE COMPANY PTE. LTD.

  公开号：US20220135599A1

  公开（公告）日：2022-05-05

  Provided are a metal-ligand complex, a catalyst composition for ethylene-based polymerization including the same, and a method for preparing an ethylene-based polymer using the same. Since the metal-ligand complex of the present invention in which a certain functional group is introduced to a certain position has high solubility and catalytic activity, the catalyst composition comprising the same for ethylene-based polymerization including the same may produce an ethylene-based polymer having excellent physical properties.

  本发明提供了一种金属配体复合物、包括该复合物的乙烯基聚合催化剂组合物以及使用该组合物制备乙烯基聚合物的方法。由于本发明中引入了某一特定位置的某一功能基团的金属配体复合物具有高溶解度和催化活性，因此包括该复合物的乙烯基聚合催化剂组合物可以生产具有优异物理性能的乙烯基聚合物。
• RARE EARTH METAL COMPLEX, POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYMER
  申请人：Senda Taichi

  公开号：US20090253875A1

  公开（公告）日：2009-10-08

  A rare earth metal complex represented by the formula (1): in which A represents a Group 14 element of the periodic table, Cp represents a group having a substituted or unsubstituted cyclopentadienyl anion moiety, Ln represents a Group 3 metal atom or a lanthanoid metal atom, R 1 to R 6 are the same or different, and represent a hydrogen atom, a halogen atom, an alkyl group having 1 to 20 carbon atoms, an aryl group having 6 to 20 carbon atoms, an aralkyl group having 7 to 20 carbon atoms, a silyl group substituted with a hydrocarbon group having 1 to 20 carbon atoms, an alkoxy group having 1 to 20 carbon atoms, R 7 represents an alkyl group having 1 to 20 carbon atoms, an aryl group having 6 to 20 carbon atoms, or an aralkyl group having 7 to 20 carbon atoms, Xs represent a monoanionic ligand, Ys represent a neutral ligand, m represents an integer of 1 to 3, and n represents an integer of 0 to 3. The rare earth metal complex is useful as, for example, a catalyst for polymerization reaction of olefins. A polar monomer such as a lactone can be polymerized using the rare earth metal complex as a catalyst.

  一种稀土金属配合物，其化学式为（1）：其中A代表周期表中的14族元素，Cp代表具有取代或未取代的环戊二烯基阴离子基团的群，Ln代表3族金属原子或镧系金属原子，R1到R6相同或不同，表示氢原子，卤素原子，具有1至20个碳原子的烷基，具有6至20个碳原子的芳基，具有7至20个碳原子的芳基烷基，被取代的含有1至20个碳原子的碳氢基的硅基基团，具有1至20个碳原子的烷氧基，R7表示具有1至20个碳原子的烷基，具有6至20个碳原子的芳基或具有7至20个碳原子的芳基烷基，X代表单阴离子配体，Y代表中性配体，m表示1至3的整数，n表示0至3的整数。该稀土金属配合物可用作例如α烯烃聚合反应的催化剂。可以使用该稀土金属配合物作为催化剂聚合极性单体，例如内酯。
• Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer
  申请人：Senda Taichi

  公开号：US20080161514A1

  公开（公告）日：2008-07-03

  A transition metal complex represented by the general formula [1]; a catalyst component for olefin polymerization comprising said transition metal complex; a catalyst for olefin polymerization using said transition metal complex as a catalyst component for olefin polymerization; a process for producing an olefin polymer comprising the step of polymerizing an olefin in the presence of said catalyst for olefin polymerization; a substituent-carrying fluorene compound; a process for producing said substituent-carrying fluorene compound; and a process for producing said transition metal complex using said substituent-carrying fluorene compound: wherein M is the group 4 transition metal atom in the periodic table of elements; A is the group 16 atom therein; J is the group 14 atom therein; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X 1 and X 2 are independently of one another (1) a substituent selected from the group consisting of (1-1) an alkyl group having 1 to 20 carbon atoms, which may be substituted by a halogen atom, (1-2) an aralkyl group having 7 to 20 carbon atoms, which may be substituted by a halogen atom, (1-3) an aryl group having 6 to 20 carbon atoms, which may be substituted by a halogen atom, (1-4) a substituent-carrying silyl group having 1 to 20 carbon atoms, which substituent is a hydrocarbyl group, and said hydrocarbyl group may be substituted by a halogen atom, (1-5) a disubstituent-carrying amino group having 2 to 20 carbon atoms, which substituent is a hydrocarbyl group, and said hydrocarbyl group may be substituted by a halogen atom, (1-6) an alkoxy group having 1 to 20 carbon atoms, which may be substituted by a halogen atom, (1-7) an aralkyloxy group having 7 to 20 carbon atoms, which may be substituted by a halogen atom, and (1-8) an aryloxy group having 6 to 20 carbon atoms, which may be substituted by a halogen atom, (2) a halogen atom or (3) a hydrogen atom; R 1 and R 2 , R 2 and R 3 , and R 3 and R 4 may be linked to each other, respectively, to form respective rings; R 5 and R 6 may be linked to each other to form a ring; R 7 , R 8 , R 9 and R 10 are independently of one another (1) a substituent selected from the group consisting of (1-1) an alkyl group having 1 to 20 carbon atoms, which may be substituted by a halogen atom, (1-2) an aralkyl group having 7 to 20 carbon atoms, which may be substituted by a halogen atom, (1-3) an aryl group having 6 to 20 carbon atoms, which may be substituted by a halogen atom, (1-4) a substituent-carrying silyl group having 1 to 20 carbon atoms, which substituent is a hydrocarbyl group, and said hydrocarbyl group may be substituted by a halogen atom, (1-5) a disubstituent-carrying amino group having 2 to 20 carbon atoms, which substituent is a hydrocarbyl group, and said hydrocarbyl group may be substituted by a halogen atom, (1-6) an alkoxy group having 1 to 20 carbon atoms, which may be substituted by a halogen atom, (1-7) an aralkyloxy group having 7 to 20 carbon atoms, which may be substituted by a halogen atom, and (1-8) an aryloxy group having 6 to 20 carbon atoms, which may be substituted by a halogen atom, (2) a halogen atom or (3) a hydrogen atom; at least two of R 7 , R 8 , R 9 and R 10 are the substituent selected from the above-mentioned group or a halogen atom; R 7 and R 8 may be linked to each other to form a ring; and R 9 and R 10 may be linked to each other to form a ring.

  一种以通式[1]表示的过渡金属配合物；一种包括该过渡金属配合物的烯烃聚合催化剂组分；一种使用该过渡金属配合物作为烯烃聚合催化剂组分的烯烃聚合催化剂；一种在该烯烃聚合催化剂存在下聚合烯烃的方法；一种携带取代基的芴化合物；一种制备该携带取代基的芴化合物的方法；以及一种使用该携带取代基的芴化合物制备该过渡金属配合物的方法：其中，M是元素周期表中的第4族过渡金属原子；A是其中的第16族原子；J是其中的第14族原子；R1、R2、R3、R4、R5、R6、X1和X2各自独立地是（1）选自以下组中的取代基：（1-1）具有1至20个碳原子的烷基取代基，其可以被卤素原子取代，（1-2）具有7至20个碳原子的芳基烷基取代基，其可以被卤素原子取代，（1-3）具有6至20个碳原子的芳基取代基，其可以被卤素原子取代，（1-4）携带取代基的具有1至20个碳原子的硅烷基，其取代基是烃基，且该烃基可以被卤素原子取代，（1-5）携带二个取代基的具有2至20个碳原子的氨基取代基，其取代基是烃基，且该烃基可以被卤素原子取代，（1-6）具有1至20个碳原子的烷氧基，其可以被卤素原子取代，（1-7）具有7至20个碳原子的芳基烷氧基，其可以被卤素原子取代，以及（1-8）具有6至20个碳原子的芳氧基，其可以被卤素原子取代，（2）卤素原子或（3）氢原子；R1和R2、R2和R3以及R3和R4可以分别相互连接以形成相应的环；R5和R6可以连接以形成环；R7、R8、R9和R10各自独立地是（1）选自上述组中的取代基：（1-1）具有1至20个碳原子的烷基取代基，其可以被卤素原子取代，（1-2）具有7至20个碳原子的芳基烷基取代基，其可以被卤素原子取代，（1-3）具有6至20个碳原子的芳基取代基，其可以被卤素原子取代，（1-4）携带取代基的具有1至20个碳原子的硅烷基，其取代基是烃基，且该烃基可以被卤素原子取代，（1-5）携带二个取代基的具有2至20个碳原子的氨基取代基，其取代基是烃基，且该烃基可以被卤素原子取代，（1-6）具有1至20个碳原子的烷氧基，其可以被卤素原子取代，（1-7）具有7至20个碳原子的芳基烷氧基，其可以被卤素原子取代，以及（1-8）具有6至20个碳原子的芳氧基，其可以被卤素原子取代，（2）卤素原子或（3）氢原子；R7、R8、R9和R10中至少有两个是上述组中的取代基或卤素原子；R7和R8可以连接以形成环；R9和R10可以连接以形成环。
• TRANSITION METAL ION COMPLEX, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING POLYMER
  申请人：Senda Taichi

  公开号：US20100204420A1

  公开（公告）日：2010-08-12

  A transition metal ion complex represented by formula (1): wherein M represents a group-IV element of the periodic table, A represents a group-XIV element of the periodic table, D represents a group-XVI element of the periodic table, Cp represents a group having a cyclopentadienyl type anion skeleton, E represents a counter anion, R 1 -R 6 represent a hydrogen atom, a halogen atom, an alkyl group, an aryl group, an aralkyl group, a silyl group substituted with a hydrocarbon, an alkoxy group, an aryloxy group, an aralkyl oxy group or an amino group substituted with hydrocarbon, and X 1 represents an alkyl group, an aryl group or an aralkyl group.

  一种由式（1）表示的过渡金属离子配合物：其中M代表周期表中的IV族元素，A代表周期表中的XIV族元素，D代表周期表中的XVI族元素，Cp代表具有环戊二烯基阴离子骨架的群，E代表反离子，R1-R6代表氢原子，卤素原子，烷基，芳基，芳基烷基，被碳氢化合物取代的硅基基团，烷氧基，芳氧基，芳基烷氧基或被碳氢化合物取代的氨基基团，X1代表烷基，芳基或芳基烷基。