trans-nitrosyl chloro(1,4,8,11-tetraazacyclotetradecane)iron(II) tetrafluoroborate | 623930-37-0

• 英文名称: trans-nitrosyl chloro(1,4,8,11-tetraazacyclotetradecane)iron(II) tetrafluoroborate
• CAS: 623930-37-0
• 化学式: BF₄*C₁₀H₂₄ClFeN₅O
• 分子量: 408.438
• InChiKey: OXVKEPFJAGCILK-UHFFFAOYSA-M

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：

  1,4,8,11-四氮杂环十四烷 、 iron(II) chloride tetrahydrate 、 tetrabutylammonium tetrafluoroborate 、 氧化亚氮 以 甲醇 为溶剂， 以54%的产率得到trans-nitrosyl chloro(1,4,8,11-tetraazacyclotetradecane)iron(II) tetrafluoroborate
  参考文献：
  名称：

  Iron complexes acting as nitric oxide carriers

  摘要：

  A new strategy for NO-carrier synthesis depending on the strength of the ligand field, the configuration of the complex and the oxidation state of the metal is developed. The preparation of the trans- and cis-[Fe(I)(NO)(Cl)]Cl and trans -[Fe(2)(NO)(Cl)]Cl complexes. where 1 is 1,4,8,11-tetraaza-cyclotetradecane or cyclam and 2 is 6,6,13,13-tetramethyl-1,4,8,11-tetraaza-cyclotetradecane, is reported. On the basis of spectroscopic data and PM3(tm) molecular modeling calculations, both species are characterized as complexes of the [Fe-NO](7) type possessing an S = 1/2 and S = 3/2 ground state for the trans- and cis-[Fe(1)(NO)(Cl)]Cl, respectively. The cis isomer can act as a NO carrier. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00050-1