2-chloro-2,4,4,6,6-pentamethylheptane

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 2-chloro-2,4,4,6,6-pentamethylheptane
• 化学式: C₁₂H₂₅Cl
• 分子量: 204.784
• InChiKey: XYUQTMASFMNBMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2,4,4,6,6-五甲基庚-1-烯 在 盐酸 作用下， 生成 2-chloro-2,4,4,6,6-pentamethylheptane
  参考文献：
  名称：

  Effect of Structure on Cationic Initiation Efficiency of a Carbocatonic/ATRP Dual Initiator

  摘要：

  The dual initiator, 3,3,5,5,7-pentamethyl-7-chlorooctyl 2-bromo-2-methylpropionate (IB3BMP), possessing initiating sites for both living carbocationic polymerization (LCP) and atom transfer radical polymerization (ATRP), was synthesized to overcome the low initiation efficiency of previously reported dual initiators such as 3,3,5-trimethyl-5-chlorohexyl 2-bromo-2-methylpropionate (IB2BMP). Low initiation efficiency of the latter and similar initiators has been attributed to complexation between the Lewis acid polymerization catalyst and the ester carbonyl group of the initiator. IB3BMP was synthesized by reacting IB2BMP with 2-methallyltrimethylsilane at low temperature, followed by hydrochlorination. IB3BMP, which differs from IB2BMP by the inclusion of one additional isobutylene (IB) repeating unit, showed quantitative initiation efficiency (I-eff similar to 1) in TiCl4-co-initiated LCP of TB under various reaction conditions, including low temperature (-70 degrees C) and low monomer/initiator ratios (48-164). I-eff and polydispersity index of the resulting polyisobutylenes were identical to those obtained with the commonly used, monofunctional cationic initiators 2-chloro-2,4,4-trimethylpentane (TMPCl) and 2-chloro-2,4,4,6,6-pentamethylheptane (PMHCl). The superiority of IB3BMP compared to IB2BMP in carbocationic initiation was attributed to increased separation between the tert-chloride initiating site and the TiCl4:carbonyl complex at the ATRP initiating site. A PIB macroinitiator prepared from IB3BMP was used to initiate ATRP of methyl acrylate. Efficiency of radical initiation was quantitative, the targeted poly(methyl acrylate) block length was obtained, and the resulting block copolymer possessed narrow polydispersity.

  DOI：

  10.1021/ma202682w

文献信息

• Polymerization processes
  申请人：McDonald Francis Michael

  公开号：US20060089467A1

  公开（公告）日：2006-04-27

  The invention provides for polymerization processes to produce polymers utilizing boiling pool reactor systems and diluents including hydrofluorocarbons.

  本发明提供了利用沸腾池反应器系统和包括氢氟碳化物的稀释剂进行聚合过程以生产聚合物的方法。
• Polymers with new sequence distributions
  申请人：Shaffer Daniel Timothy

  公开号：US20060100409A1

  公开（公告）日：2006-05-11

  The invention relates to new polymerization processes including diluents including hydrofluorocarbons and their use to produce novel polymers with new sequence distributions. In particular, the invention relates to copolymers of an isoolefin, preferably isobutylene, and a multiolefin, preferably a conjugated diene, more preferably isoprene, with new sequence distributions.

  本发明涉及新的聚合过程，其中包括包含氢氟碳化物的稀释剂，并利用它们来生产具有新序列分布的新型聚合物。特别是，本发明涉及一种异构烯烃，优选为异丁烯，和多烯烃，优选为共轭二烯，更优选为异戊二烯，的共聚物，具有新的序列分布。
• Polymers substantially free of long chain branching
  申请人：Milner Thomasq Scott

  公开号：US20060094847A1

  公开（公告）日：2006-05-04

  The invention relates to new polymerization processes including diluents including hydrofluorocarbons and their use to produce novel polymers substantially free of long chain branching. In particular, the invention relates to copolymers of an isoolefin, preferably isobutylene, and a multiolefin, preferably a conjugated diene, more preferably isoprene, substantially free of long chain branching.

  本发明涉及新的聚合过程，包括包括氢氟烃的稀释剂，并使用它们来生产基本没有长链支化的新型聚合物。特别地，本发明涉及一种异构烯烃（优选为异丁烯）和一种多烯烃（优选为共轭二烯，更优选为异戊二烯）的共聚物，基本没有长链支化。
• Halogenated polymers with new sequence distributions
  申请人：Shaffer Daniel Timothy

  公开号：US20050101751A1

  公开（公告）日：2005-05-12

  The invention relates to new polymerization processes including diluents including hydrofluorocarbons and their use to produce novel halogenated polymers with new sequence distributions. In particular, the invention relates to halogenated copolymers of an isoolefin, preferably isobutylene, and a multiolefin, preferably a conjugated diene, more preferably isoprene, with new sequence distributions.

  本发明涉及新的聚合过程，包括包括氢氟碳化物的稀释剂，并利用它们制备具有新序列分布的新型卤代聚合物。具体而言，本发明涉及一种异构烯烃（优选为异丁烯）和多烯烃（优选为共轭二烯，更优选为异戊二烯）的卤代共聚物，其具有新的序列分布。
• Verfahren zur Herstellung von Polymeren mit reaktiven Endgruppen
  申请人：BAYER AG

  公开号：EP0175122A2

  公开（公告）日：1986-03-26

  Ein verbessertes Verfahren zur Herstellung von Polymeren mit Halogenendgruppen aus kationisch polymerisierbaren Monomeren, wobei man das Monomere in einem inerten Lösungsmittel bei +10°C bis -130°C mit Hilfe eines Katalysatorsystems aus einem Metallhalogenid und einem organischen Halogenid polymerisiert, verwendet als organische Halogenide Verbindungen der allgemeinen Formel wobei X ein Halogenatom ist, R1, R2, R3 C5-C10-Cycloalkyl, geradkettiges oder verzweigtes C1-C20-Alkyl oder ' bedeuten, wobei R, und R, C5-C10-Cycloalkyl oder geradkettiges oder verzweigtes C1-C20-Alkyl ist, und das organische Halogenid mindestens 5 C-Atome und maximal 50 C-Atome besitzt und in Konzentrationen von 10-1 1 bis 10-6Mol pro Mol Monomer vorliegt und als Metallhalogenide BX3, SnX4, TiX4, SbX, oder FeX3, wobei X ein Halogenatom ist, im 2-500fachen molaren Überschuß, bezogen auf das organische Halogenid, zugesetzt werden.

  一种用可阳离子聚合的单体制备具有卤素末端基团的聚合物的改进工艺，其中单体在惰性溶剂中于 +10°C 至 -130°C 下借助由金属卤化物和有机卤化物组成的催化剂体系聚合，使用通式如下的有机卤化物化合物 其中 X 是卤素原子 R1、R2、R3 为 C5-C10 环烷基、直链或支链 C1-C20 烷基，或 其中 R、和 R 是 C5-C10 环烷基或直链或支链 C1-C20 烷基、 有机卤化物具有至少 5 个 C 原子和至多 50 个 C 原子，其浓度为每摩尔单体 10-1 1 至 10-6 摩尔，并以金属卤化物 BX3、SnX4、TiX4、SbX 或 FeX3（其中 X 为卤素原子）的形式加入，摩尔过量为有机卤化物的 2-500 倍。