aqua(4-bromobutyl)cobaloxime | 863203-84-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: aqua(4-bromobutyl)cobaloxime
• 英文别名: Br(CH2)4Co(dimethylglyoxime)2(H2O)
• CAS: 863203-84-3
• 化学式: C₁₂H₂₄BrCoN₄O₅
• 分子量: 443.244
• InChiKey: NSJRRDHEXBDOLU-DVTASQICSA-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：

  aqua(4-bromobutyl)cobaloxime 、 水 、 β-cyclodextrin 以 水 为溶剂， 以34%的产率得到(aqua(O-tetramethylene-CHEL)cobaloxime)-(β-cyclodextrine)-water (1/1/4)
  参考文献：
  名称：

  A new β-CD inclusion complex with a seven-membered ring bridged organocobaloxime

  摘要：

  This work demonstrates that by providing a confined environment, the cyclodextrin binding promotes the debromination reaction of aqua-(4-bromobutyl)cobaloxime to form a novel seven membered ring aqua(O-tetramethylene-CHEL)cobaloxime, which is included in the beta-CD cavity and could not be prepared in the absence of beta-cyclodextrin. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.05.021
• 作为产物：
  描述：

  1,4-二溴丁烷 、 chloropyridinecobaloxime(III) 在 NaOH 、 NaBH₄ 作用下， 以 甲醇 、 水 为溶剂， 以60%的产率得到aqua(4-bromobutyl)cobaloxime
  参考文献：
  名称：

  Study on the intermolecular interactions of alkylcobaloxime complexes (RCo(dmgH)2L, dmgH=dimethylglyoxime, R=alkyl, L=H2O or pyridine)

  摘要：

  A series of alkylcobaloxime complexes, [RCo(dmgH)(2)L, where dmgH=dimethylglyoxime, R=alkyl, L=neutral monodentate axial ligand], i.e. (EtO2C)(2)C(Me)CH2Co(dmgH)(2)H2O(1), n-C5H11Co(dmgH)(2)H2O(2), Br(CH2)(4)Co(dmgH)(2)py(3) and Br(CH2)4Co(dmgH)(2)H2-O(4), have been synthesized and characterized. Analysis and comparison of their crystal packing structures with that of our previous reported complexes, COOCH3(CH2,)(2)Co(dmgH)(2)H2O(5) and c-C6H11Co(dmgH)(2)H2O(6), disclose that one-dimensional ribbon-like zigzag hydrogen bonded networks in 1, 2 and 4 are sustained and controlled by self-assembly between dimethylglyoxime and coordinated water through O-H center dot center dot center dot O- interactions. And the further fon-nation of different types of hydrogen bond linkages with the variation of the axial groups leads to creation of special 2D or 3D architectures. However, the crystal packing structure of 5 and 6 are absolutely different from 1, 2 and 4 due to conformational isomerism effect. Additionally, different types of the protons attachment at O-H center dot center dot center dot O- bridge are observed in 3 and 4, respectively, which is favorable to the intermolecular interactions. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.01.071