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Cp2TiCl(SeC6H4Br-p) | 727739-21-1

中文名称
——
中文别名
——
英文名称
Cp2TiCl(SeC6H4Br-p)
英文别名
——
Cp2TiCl(SeC6H4Br-p)化学式
CAS
727739-21-1
化学式
C16H14BrClSeTi
mdl
——
分子量
448.484
InChiKey
VDTSNQRRZIHEDL-UHFFFAOYSA-L
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

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

  • 作为产物:
    描述:
    二氯二茂钛1,2-bis(4-bromophenyl)diselenide 在 Mg 作用下, 以 四氢呋喃 为溶剂, 以92%的产率得到Cp2TiCl(SeC6H4Br-p)
    参考文献:
    名称:
    Synthesis of new organotitanium (IV) complexes Cp2Ti(SeR)2 and Cp2TiCl(SeR) via tandem reactions involving `Cp2Ti' intermediate. Crystal structures of Cp2TiCl(SeR) (R=p-ClC6H4, p-BrC6H4)
    摘要:
    A simple and convenient route for synthesizing organotitanium (IV) complexes with a general formula CP2Ti(SeR)(2) or CP2TiCl(SeR) has been developed. This synthetic route includes reduction Of Cp2TiCl2 with Mg and an in situ treatment of the intermediate 'Cp2Ti' with diselenides RSeSeR. Interestingly, while the route involving reaction Of Cp2TiCl2, Mg and RSeSeR in a molar ratio of 1:1:1 produced CP2Ti(SeR)2, (1-5, R=alpha-C10H7, o-MeC6H4, m-MeC6H4, P-ClC6H4, p-BrC6H4) in 91-97% yields, the route involving reaction of Cp2TiCI2, Mg and RSeSeR in a molar ratio of 1: 0.5: 0.5 afforded Cp2TiCl(SeR) (6-7, R=p-ClC6H4, p-BrC6H4) in 70% and 92% yields, respectively. 1-7 are new and have been characterized by elemental analysis and spectroscopy, as well as by X-ray diffraction analysis for 6 and 7. A possible pathway for production of these two types of organotitanium (IV) complexes, mainly depending upon the molar ratio of the starting materials, are briefly discussed. (C) 2003 Elsevier B.V. All rights reserved.
    DOI:
    10.1016/j.ica.2003.06.011
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