cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV) | 454677-87-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
• 英文别名: Propan-2-olate;quinolin-8-olate;titanium(4+)
• CAS: 454677-87-3
• 化学式: C₂₄H₂₆N₂O₄Ti
• 分子量: 454.361
• InChiKey: OMVMRNPAGFQJLL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV) 、 苯基氢氧化汞 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Phenylmercury chelates and chelated titanoxanes

  摘要：

  DOI：

  10.1016/0022-5088(79)90109-7
• 作为产物：
  描述：

  titanium(IV) isopropylate 、 8-羟基喹啉 以 甲苯 为溶剂， 以2.24 g的产率得到cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
  参考文献：
  名称：

  衍生自8-羟基喹啉的水分稳定杂合钛（IV）配合物：合成，抗菌和抗真菌研究

  摘要：

  对于合成具有氮基和硫基配体的钛（IV）的水稳定衍生物，已经做出了系统的努力。衍生自[[Q 2）Ti {（（OiPr）2-n（L 1 OR 1）n-1）（L 1 OR）}类型的8-羟基喹啉（HQ）的新型杂配钛（IV）络合物]（3a – 3c），[（Q 2）Ti（OiPr）2-n（L 2）]（3d， 3g），[（Q 2）Ti（L 1 OR）（L 2）]（3e，3f，3h ，3i）的制备方法是，以无水甲苯为溶剂，以不同的摩尔比用不同的烷氧基链烷醇，2-羟基吡啶（HPy）和2-杂芳基甲基酮肟处理前体[（Q 2）Ti（OiPr）2 ]（2）。 ，n  = 1-2，HQ = 8-HQ，iPr =异丙基，L 1  = O–CH 2 –CH 2 –，R = CH 3，C 2 H 5，R 1  = C 2 H 5和L 2H = 2-HPy，HONC（Me）th-2）。所有这些配合物的稳定性研究都是在室温下通

  DOI：

  10.1007/s00044-014-1234-3

文献信息

• New bis(aryloxy)–Ti(iv) complexes and their use for the selective dimerization of ethylene to 1-butene
  作者：Fabien Grasset、Jean-Benoît Cazaux、Lionel Magna、Pierre Braunstein、Hélène Oliver-Bourbigou

  DOI：10.1039/c2dt30991b

  日期：——

  New titanium complexes of general formula [(ArO)nTi(Oi-Pr)(4−n)] were synthesized and used as pre-catalysts for the selective dimerization of ethylene to 1-butene. The complexes were prepared in cyclohexane using [Ti(Oi-Pr)4] and one or two equivalents of the corresponding phenols (ArOH) at room temperature. In this work, both monodentate and chelating phenols were evaluated. For alkyl-substituted

  合成了新的通式[（ArO）n Ti（O i -Pr）（4- n） ]的钛配合物，并将其用作乙烯选择性二聚为氯代甲烷的预催化剂。1-丁烯。复合物是在环己烷使用钛[Ti（O我-Pr）4 ]，在室温下相应的酚类（aroH的）的一个或两个当量。在这项工作中，评估了单齿酚和螯合酚。对于烷基取代的苯酚，它证明了在两个大的空间位阻的邻和邻'位选择性地得到单取代物[（ARO）的Ti（O我-Pr）3 ]。取代只在其中一个邻位允许两个单-和二-取代的钛复合物的位置，以进行分离。当在苯酚骨架引入的杂原子，二取代发生系统除了与酚呈现hemilabile -CH 2 NR2组在邻位。在用3当量活化。ALET的3在20巴和60℃下，所有的复合物选择性地二聚乙烯1-丁烯 （> 86％的丁烯，其中99％ 1-丁烯）。与[Ti（O i -Pr）4 ]相比，配体邻位的空间体积增加或官能团的引入导致活性降低。
• A New Series of Moisture Stable Metallacyclic Heteroleptic Titanium(IV) Complexes of 8-Hydroxyquinoline: Synthesis, Characterization, Stability Study and Cytotoxicity Evaluation
  作者：Blassan Samuel、Madhvesh Pathak

  DOI：10.14233/ajchem.2019.22120

  日期：2019.6.10

  A new series of moisture resistant metallacyclic titanium(IV) derivatives prepared from 8-hydroxyquinoline of the general formulae [(Q2)Ti(L1)(L2OR)}] (3a-b, 3d-e), [(Q2)Ti(L1)(L3)}] (3c and 3f) and [(Q2)Ti(L4)] (3g and 3h) is synthesized by interacting the precursor molecule [(Q2)Ti(OiPr)2] (2) with various 2-heteroaryl methyl ketone oximes and various alkoxyalkanols/2-hydroxypyridine or only with catechol/resorcinol in 1:1:1 or in 1:1 molar ratios in anhydrous boiling toluene (where, HQ = 8-hydroxyquinoline; iPr = isopropyl; L1H = HONC(Me)py-2/HONC(Me)fu-2; L2 = O-CH2-CH2-; R = CH3, C2H5; L3H = 2-hydroxypyridine and L4H = catechol/resorcinol). Stability study revealed that these molecules were stable for a period of 72 h. Mononuclear nature of the complexes was confirmed through mass spectral analysis. Thermogravimetric results explain the multistage fragmentation of the complexes at 900 ºC. NMR, FTIR, and UV-visible spectral data suggested that titanium-ligands attachment is in a hexa-coordinated manner. Additionally, all these molecules were tested for their tumour inhibiting potential against MDA-MB-231 human breast carcinoma cell line.

  一种新的耐潮湿金属环钛(IV)衍生物系列是通过将前驱体分子[(Q2)Ti(OiPr)2] (2)与各种2-杂芳基甲基酮肟和不同的醇类/2-羟基吡啶或者仅与儿茶酚/水杨醇在无水沸腾的甲苯中以1:1:1或1:1的摩尔比进行反应而合成的。这些衍生物的一般公式为[(Q2)Ti(L1)(L2OR)}] (3a-b, 3d-e), [(Q2)Ti(L1)(L3)}] (3c和3f)以及[(Q2)Ti(L4)] (3g和3h)，其中HQ = 8-羟基喹啉；iPr = 异丙基；L1H = HONC(Me)py-2/HONC(Me)fu-2；L2 = O-CH2-CH2-；R = CH3, C2H5；L3H = 2-羟基吡啶，L4H = 儿茶酚/水杨醇。稳定性研究表明，这些分子在72小时内保持稳定。通过质谱分析确认了这些络合物的单核性质。热重分析结果解释了这些络合物在900 ºC下的多阶段碎片化。NMR、FTIR和紫外-可见光谱数据表明钛与配体的结合呈六配位方式。此外，所有这些分子都经过了对MDA-MB-231人乳腺癌细胞系的肿瘤抑制潜力的测试。
• Synthesis, Characterization, Stability and Cytotoxic Evaluation of Novel Titanium(IV) Complexes of 8-Hydroxyquinoline and 2-Hydroxy-N-phenylbenzylamine Derivatives
  作者：Blassan Samuel、Madhvesh Pathak

  DOI：10.14233/ajchem.2020.22505

  日期：2020.2.10

  A new class of moisture stable heteroleptic titanium(IV) complexes, synthesized from 8-hydroxyquinoline of the type [(Q)2Ti(2-O-5-X-C6H3CH2NC6H4R] (3a-j), was prepared by reacting the antecedent molecule [(Q2)Ti(OiPr)2] (2) with various 2-hydroxy-N-phenyl-benzylamine analogues in 1:1 molar ratios in dry toluene (where, HQ = 8-hydroxyquinoline; iPr = isopropyl; R = H, 4-CH3, 4-OCH3, 2-Cl, 4-Cl, 2-Br, 4-Br; X= H, Br). Moisture sensitive study disclosed that these new metal complexes were unreacted for 72 h. Mass spectral data were employed for proving the mono-nuclearity of the new derivatives. Thermal decomposition pattern of the new derivatives was explained by thermogravimetric analyses. Elemental analyses data are in concordance with their expected values. The hexa-coordinated way of titanium-ligand linkage is further proved through NMR, FTIR, and UV-visible spectral studies. The cytotoxic efficiency of new complexes was tested against MDA-MB-231 human breast carcinoma cell line. Complex 3a exhibited the highest cytotoxic potential of 0.039 μM in comparison to all its analogues of this series by employing cisplatin as the standard

  一种新型的具有湿度稳定性的杂环钛（IV）配合物类别，由8-羟基喹啉[(Q)2Ti（2-O-5-X-C6H3CH2NC6H4R]（3a-j）合成，通过在干燥甲苯中以1:1摩尔比反应前体分子[(Q2)Ti（OiPr）2]（2）与各种2-羟基-N-苯基苄胺类似物（其中，HQ = 8-羟基喹啉; iPr = 异丙基; R = H，4-CH3，4-OCH3，2-Cl，4-Cl，2-Br，4-Br; X = H，Br）。湿度敏感性研究表明，这些新金属配合物在72小时内未反应。质谱数据用于证明新衍生物的单核性。通过热重分析解释了新衍生物的热分解模式。元素分析数据与预期值一致。通过NMR，FTIR和UV-Visible光谱研究进一步证明了钛-配体键合的六配位方式。测试了新配合物对MDA-MB-231人乳腺癌细胞系的细胞毒性效率。与所有同系列的类似物相比，3a复合物表现出最高的细胞毒性潜力（0.039μM），以顺铂为标准。
• Awasarkar, P. A.; Gopinathan, Sarada, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1985, vol. 15, p. 133 - 148
  作者：Awasarkar, P. A.、Gopinathan, Sarada

  DOI：——

  日期：——
• Potvin, Pierre G.; Fieldhouse, Benjamin G., Canadian Journal of Chemistry, 1995, vol. 73, # 3, p. 401 - 413
  作者：Potvin, Pierre G.、Fieldhouse, Benjamin G.

  DOI：——

  日期：——