2-(3,6-Ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-(3,6-Ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
• 英文别名: 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
• 化学式: C₈₅H₁₀₄F₂N₂O₄
• 分子量: 1255.7
• InChiKey: FSMNBHILSGXMQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.3
• 重原子数：
  93
• 可旋转键数：
  21
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  68.8
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• POLYMERIZATION PROCESSES FOR HIGH MOLECULAR WEIGHT POLYMERS
  申请人：DOW GLOBAL TECHNOLOGIES LLC

  公开号：US20150307643A1

  公开（公告）日：2015-10-29

  A process to for polymerizing ethylene in the presence of a metal complex of Structure I, as described herein, which comprises a metal selected from one of Groups 3-6, which is bonded to aryl groups via oxygen and two Z groups. The aryl groups comprise substituents R1a, R1aa, through R15a, R15aa, which are selected from hydrogen, halo, hydrocarbyl, trihydrocarbylsilyl, trihydrocarbylsilylhydrocarbyl, —O(R), —N(R′R″), —S(R′″), or —P(R IV R V ); and each R, R′, R″, R′″, R IV and R v is described herein. Two X groups are also bonded to the metal, and each is halo, hydrocarbyl, or trihydrocarbylsilyl group. Each Z is O, S, N(C1-C40)hydrocarbyl, or P(C1-C40)hydrocarbyl. Groups Y and L form part of a bridge between the Z groups. Y is halo, hydrocarbyl, trihydrocarbylsilyl, trihydrocarbylsilylhydrocarbyl, —O(R VI ), —N(R VII R VIII ), —S(R IX ), or —P(R X R XI ); and each R VI , R VII , R VIII , R IX , R X and R XI is described herein. L is (C1-C40)hydrocarbylene or (C1-C40)heterohydrocarbylene. The invention also provides Structure I.

  一种在结构I的金属配合物存在下聚合乙烯的方法，所述金属选择自3-6族之一，通过氧原子与苯基键合，并与两个Z基团结合。苯基包括取代基R1a，R1aa到R15a，R15aa，所述取代基选择自氢、卤素、烃基、三烷基硅基、三烷基硅基烃基、—O(R)、—N(R' R")、—S(R'")或—P(RIVRV)，其中每个R、R'、R"、R'"、RIV和RV的定义如本文所述。金属还与两个X基团结合，每个X基团为卤素、烃基或三烷基硅基。每个Z为O、S、N(C1-C40)烃基或P(C1-C40)烃基。基团Y和L形成连接Z基团的桥梁。Y为卤素、烃基、三烷基硅基、三烷基硅基烃基、—O(RVI)、—N(RVIIRVIII)、—S(RIX)或—P(RXRXI)，其中每个RVI、RVII、RVIII、RIX、RX和RXI如本文所述。L为(C1-C40)烃基亚基或(C1-C40)杂烃基亚基。本发明还提供结构I。
• POLYMERIZATION PROCESSES FOR HIGH MOLECULAR WEIGHT POLYOLEFINS
  申请人：Dow Global Technologies LLC

  公开号：EP2945972A1

  公开（公告）日：2015-11-25
• US9534070B2
  申请人：——

  公开号：US9534070B2

  公开（公告）日：2017-01-03
• [EN] POLYMERIZATION PROCESSES FOR HIGH MOLECULAR WEIGHT POLYOLEFINS<br/>[FR] PROCÉDÉS DE POLYMÉRISATION POUR DES POLYOLÉFINES DE HAUT POIDS MOLÉCULAIRE
  申请人：DOW GLOBAL TECHNOLOGIES LLC

  公开号：WO2014113046A1

  公开（公告）日：2014-07-24

  A process to for polymerizing ethylene in the presence of a metal complex of Structure I, as described herein, which comprises a metal selected from one of Groups 3-6, which is bonded to aryl groups via oxygen and two Z groups. The aryl groups comprise substituents R1a, R1aa, through R15a, R15aa, which are selected from hydrogen, halo, hydrocarbyl, trihydrocarbylsilyl, trihydrocarbylsilylhydrocarbyl, -O(R), -N(R'R"), -S(R"'), or -P(RIVRV); and each R, R', R", R'", RIV and Rv is described herein. Two X groups are also bonded to the metal, and each is halo, hydrocarbyl, or trihydrocarbylsilyl group. Each Z is O, S, N(C1-C40)hydrocarbyl, or P(C1-C40)hydrocarbyl. Groups Y and L form part of a bridge between the Z groups. Y is halo, hydrocarbyl, trihydrocarbylsilyl, trihydrocarbylsilylhydrocarbyl, -O(RVI), -N(RVII RVIII), -S(RIX), or -P(RXRXI); and each RVI, RVII, RVIII, RIX, RXand RXI is described herein. L is (C1-C40)hydrocarbylene or (C1-C40)heterohydrocarbylene. The invention also provides Structure I.