W(CO)₅(N-methylimidazole) | 215525-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: W(CO)₅(N-methylimidazole)
• 英文别名: Carbon monoxide;1-methylimidazole;tungsten
• CAS: 215525-85-2
• 化学式: C₉H₆N₂O₅W
• 分子量: 406.007
• InChiKey: GGFKEUULRLNUSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  22.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  六羰基钨 以 二氯甲烷 、 二乙二醇 为溶剂， 反应 6.0h， 生成 W(CO)₅(N-methylimidazole)
  参考文献：
  名称：

  含M（CO）5的CO释放分子的合成，毒性和生物分布（M = Mo，W和Cr）

  摘要：

  一系列CO释放分子M（CO）的5  L（M = Mo，W和Cr）的，（1，2，3，L =甘氨酸甲酯; 4，5，6，Ñ甲基咪唑; 7，8，9，2-氨基吡啶; 10，11，12，3-氨基吡啶; 13，14，15，4-氨基吡啶），合成。所有配合物均已通过NMR，IR和电喷雾电离质谱进行了表征。14和15的八面体结构也通过X射线晶体学确定。此外，评估了所有复合物的毒性，药代动力学和代谢过程。通过MTT测定对成纤维细胞系增殖的细胞毒性作用。在络合物中，Mo络合物1显示出最低的细胞毒性（IC 50  = 597 µmol l -1），W络合物2显示出显着的毒性作用，IC 50  = 52 µmol l -1。在具有相同配体的情况下，配合物的毒性作用按金属元素W

  DOI：

  10.1002/aoc.3105

文献信息

• Group 6 carbene complexes derived from lithiated azoles and the crystal structure of a molybdenum thiazolinylidene complex
  作者：Helgard G. Raubenheimer、Yolanda Stander、Eugene K. Marais、Catharine Thompson、Gert J. Kruger、Stephanie Cronje、Maggel Deetlefs

  DOI：10.1016/s0022-328x(99)00445-3

  日期：1999.11

  Fischer-type (alkoxy)azolyl carbene complexes and Öfele–Lappert-type azolylinylidene complexes were synthesised by reaction of 1-phenylpyrazol-3-yllithium, 4-methylthiazol-2-yllithium, benzothiazol-2-yllithium, 1-methylimidazol-2-yllithium with M(CO)5L (L=CO, THF or Cl−; M=Cr, Mo or W) and subsequent alkylation with CF3SO3CH3. The alkylation of Fischer-type carbene complexes containing an azolyl as the

  通过1-苯基吡唑-3-基锂，4-甲基噻唑-2-基锂，苯并噻唑-2-基锂，1-甲基咪唑-2-的反应合成了Fischer型（烷氧基）偶氮基卡宾配合物和Öfele-Lappert型偶氮亚芳基配合物。 yllithium与M（CO）5 L（L = CO，THF或Cl - ; M =的Cr，Mo或W）和随后烷基化以CF 3 SO 3 CH 3。含有偶氮基作为有机取代基的费歇尔型卡宾配合物的烷基化是通过四氢呋喃的开环进行的。当在THF中进行烷基化时，碳正离子CH 3 O（CH 2）4 +充当亲电试剂。配位的咪唑基提供的环状亚胺配合物的质子化而非烷基化。通过去质子化和烷基化将配位噻唑的供体原子从N改变为C，得到卡宾络合物。
• Syntheses and evaluation of drug-like properties of CO-releasing molecules containing ruthenium and group 6 metal
  作者：Pengpeng Wang、Huapeng Liu、Quanyi Zhao、Yonglin Chen、Bin Liu、Baoping Zhang、Qian Zheng

  DOI：10.1016/j.ejmech.2013.12.041

  日期：2014.3

  In this paper, drug-like properties of two series of carbonyl metal CO-releasing molecules, Ru(CO)(3)ClnL (n = 1, L = amino acid or its derivatives 1-7, L=acetylacetone 8 or 2,2 '-bipyridyl 9; n = 2, L=aminopyridine derivatives 10-13; n = 0, L=salicylaldehyde Schiff base 14-15) and M(CO)(5)L(M = Cr, Mo, W; L = glycine methyl ester 16-18; L=N-methyl imidazole 19-21), were preliminarily evaluated from four aspects involving in cytotoxicity, in vivo toxicity, bio-distribution and metabolism. Cytotoxic effects of all complexes were assayed by mu. IC50 values of complexes 1-15 were 39.55-240.16 mg/l, and those of complexes 16 and 18 were 21.36-22.21 mg/l. Toxicity tests of mice used oral acute toxic class method and got LD50 values of some complexes; among them, LD50 of complex 1 was in 800-1000 mg/kg, complex 7 in 1100-1500 mg/kg and complex 18 in 75-125 mg/kg. After several consecutive administrations, tested complexes severely damaged liver and kidney in both functional and morphological aspects. And by metal ions measurements using ICP-AES, we found that the tested complexes were unevenly distributed in tissues and organs. In vivo, Ru-II in complexes was oxidized to Ru-III by P450 enzymes, and for Mo-0 and W-0 in complexes, part of them transformed into higher oxidation state, the others kept original state. (C) 2014 Elsevier Masson SAS. All rights reserved.