SnI4(3,5-dimethyl-1-(2'-pyridyl)pyrazole) | 663219-50-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: SnI4(3,5-dimethyl-1-(2'-pyridyl)pyrazole)
• CAS: 663219-50-9
• 化学式: C₁₀H₁₁I₄N₃Sn
• 分子量: 799.545
• InChiKey: IRGYSFYDQRIGOW-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  碘化锡 、 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine 以 二氯甲烷 为溶剂， 以53%的产率得到SnI4(3,5-dimethyl-1-(2'-pyridyl)pyrazole)
  参考文献：
  名称：

  Complexes of tin(IV) halides and diorganotin(IV) dihalides with 3,5-dimethyl-1-(2′-pyridyl)pyrazole

  摘要：

  3,5-Dimethyl-1-(2'-pyridyl)pyrazole (DMPP) reacts with SnX4 and R2SnX2 (X=Cl, Br, I; R = Me, Et, Bu, Ph) to yield adducts of types [SnX4(DMPP)] and [SnR2X2(DMPP)], respectively. The structure of [SnEt2Br2(DMPP)] has been determined by X-ray diffractometry. The crystal consists of discrete [SnEt2Br2(DMPP)] molecules with the metal atom octahedrally coordinated to two Br atoms [Sn-Br = 2.631(3), 2.703(3) Angstrom; Br-Sn-Br = 98.00(10)degrees], two ethyl carbons [Sn-C = 2.11(3), 2.143(19) Angstrom; C-Sn-C = 172.3(11)degrees] and the two donor N atoms of the ligand [Sn-N = 2.379(16), 2.387(16) Angstrom; N-Sn-N = 66.8(6)degrees]. The IR data and Mossbauer parameters are consistent with all the organotin derivatives having, similar geometry whereas in the case of the [SnX4(DMPP)] complexes the results of both techniques support the expectation of cis stereochemistry. The H-1 NMR data indicate significant dissociation in solution. The chlorobutyl derivative exhibited significant in vitro antitumour activity against the human carcinoma cell line KB. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00240-8