[(η5-C5Me5)TiMe(CF3SO3)(O-2,6-i-Pr2C6H3)] | 546085-48-7

• 英文名称: [(η5-C5Me5)TiMe(CF3SO3)(O-2,6-i-Pr2C6H3)]
• CAS: 546085-48-7
• 化学式: C₂₄H₃₅F₃O₄STi
• 分子量: 524.481
• InChiKey: BTNSWQXCNXQAMV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  3-丁烯-1-醇 、 [(η5-C5Me5)TiMe(CF3SO3)(O-2,6-i-Pr2C6H3)] 以 正己烷 为溶剂， 以90%的产率得到C5(CH3)5Ti(CF3)(SO3)(3-buten-1-ol(1-))(O-2,6-(i)Pr2C6H3)
  参考文献：
  名称：

  Some reactions of Cp*TiMe2(OAr) and Cp*TiMe(CF3SO3)(OAr) with 5-hexen-1-ol and 3-buten-1-ol, structural analysis for Cp*Ti(CF3SO3)[OCH2(CH2)3CHCH2](OAr)

  摘要：

  Reaction of Cp*TiMe(CF3SO3)(OAr) (2, OAr = O-2,6-Pr-i(2) C6H3) with 5-hexen-1-ol in n-hexane gave Cp*Ti(CF3SO3)[OCH2 (CH2), CH=CH2] (OAr) (3) exclusively (94% yield). 3 was very stable upon heating, and the structural analysis has been made by Xray crystallography. Reaction of Cp*TiMe2(OAr) with both 5-hexen-1-ol and 3-buten-1-ol have also been explored. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1387-7003(03)00035-2
• 作为产物：
  描述：

  (pentamethylcyclopentadienyl)TiMe2(O-2,6-i-Pr2C6H3) 、 三氟甲磺酸 以 正己烷 为溶剂， 以73%的产率得到[(η5-C5Me5)TiMe(CF3SO3)(O-2,6-i-Pr2C6H3)]
  参考文献：
  名称：

  A study concerning the effect of organoboron compounds in 1-hexene polymerization catalyzed by Cp*TiMe2(O-2,6-iPr2C6H3). Structural analysis for Cp*TiMe2(O-2,6-iPr2C6H3) and Cp*TiMe(CF3SO3)(O-2,6-iPr2C6H3)

  摘要：

  Since the observed catalytic activity was extremely low if B(C6F5)(3) was used as the cocatalyst for 1-hexene polymerization in the presence of Cp*TiMe2(O-2,6-(Pr2C6H3)-Pr-i) (1, CP* = C5Me5)-(AlBu3)-Bu-i catalyst, although the significant catalytic activity was observed if Ph3CB(C6F5)(4) was used in place of B(C6F5)(3), the reaction of I with B(C6F5)(3), Ph3CB(C6F5)(4) was thus explored. The reaction of I with B(C6F5)(3) afforded decomposed and/or several compounds even at -70 degreesC, whereas no decomposition was observed if the reaction of 1 with Ph3CB(C6F5)(4) was employed. The species generated from the reaction of 1 with Ph3CB(C6F5)(4) consumed 1-hexene exclusively even at -30 degreesC. Cp*TiMe(CF3SO3)(O-2,6-(Pr2C6H3)-Pr-i) (4) was prepared by the reaction of 1 with CF3SO3H in high yield (73%), and structural analysis for 1 and 4 were determined by X-ray crystallography. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01371-3