Cp(CpCMe2CH2COCl)titanium(IV)dichloride | 864767-00-0

• 英文名称: Cp(CpCMe2CH2COCl)titanium(IV)dichloride
• CAS: 864767-00-0
• 化学式: C₁₅H₁₇Cl₃OTi
• 分子量: 367.538
• InChiKey: MUNGYTDCEVDSCQ-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：

  Cp(CpCMe2CH2COCl)titanium(IV)dichloride 、 4,4-difluoro-8-(4-aminophenyl)-1,3,5,7-tetramethyl-2,6-diethyl-4-bora-3a,4a-diaza-s-indacene 在 sodium hydride 作用下， 以 氯仿 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  In vitro and in vivo trackable titanocene-based complexes using optical imaging or SPECT

  摘要：

  已合成、表征并跟踪了两种前所未有的基于钛环戊二烯的治疗诊断联合体，分别在体外（BODIPY探针）或体内（111In-DOTA探针）进行了追踪。

  DOI：

  10.1039/c7dt01981e
• 作为产物：
  描述：

  在 氯化亚砜 作用下， 反应 1.0h， 生成 Cp(CpCMe2CH2COCl)titanium(IV)dichloride
  参考文献：
  名称：

  CONJUGATES OF 18F CARRIERS HAVING BIOACTIVE, ORGANIC COMPOUNDS AND THE PREPARATION THEREOF

  摘要：

  本发明涉及一种新的化合物，可以在特别温和的条件下用18F进行氟化。这些新的化合物因此使得根据本发明的新型氟化方法的使用成为可能，其中要氟化的底物在氟化过程中被固定在聚合物上。该方法的特点在于，该方法比现有技术的方法需要更少和更简单的操作。因此，在实验室或医院使用放射性核素18F进行工作时，提高了职业安全性。

  公开号：

  US20130041104A1

文献信息

• Synthesis, structure and biological activity of amide-functionalized titanocenyls: Improving their cytotoxic properties
  作者：Li Ming Gao、Jaime Matta、Arnold L. Rheingold、Enrique Meléndez

  DOI：10.1016/j.jorganchem.2009.09.016

  日期：2009.12

  Nine amide-functionalized titanocenyls have been synthesized and characterized by spectroscopic and analytical methods and the solid state structure of Cp(CpCO-NH-C6H4-OCF3)TiCl2 was determined by single crystal X-ray diffraction. X-ray analysis of Cp(CpCO-NH-C6H4-OCF3) TiCl2 showed that titanium is in a pseudo tetrahedral geometry and contains a Ti-O(amide) coordination. In principle, Ti-O coordination should provide more hydrolytic stability to the corresponding titanocenyls than titanocene dichloride. The cytotoxic activities of these amide-functionalized titanocenyls on HT-29 colon cancer cell line were determined by MTT assay to elucidate structure-activity relationship. All complexes were more cytotoxic than titanocene dichloride and there is no correlation between the para substituents on the phenyl ring and their cytotoxicities. (C) 2009 Elsevier B.V. All rights reserved.
• A Modular and Efficient Synthesis of Functional Titanocenes
  作者：Andreas Gansäuer、Dieter Franke、Thorsten Lauterbach、Martin Nieger

  DOI：10.1021/ja054185r

  日期：2005.8.24

  A modular synthesis of functional titanocenes featuring building blocks is described. The approach allows straightforward access to large numbers of structurally diverse titanocenes that are pertinent for catalysis, structural studies, and bioinorganic chemistry. Among the functional groups introduced are amino acids, sugars, and fluorescence labels that are attached to the cyclopentadienyl ligand as esters and amides.