(6-benzyl-3,3,9,9-tetramethyl-4,8-diazaundecane-2,10-dione dioximato(3-)-N,N',N'',N''')cobalt(III) dinitrite | 733752-20-0

• 英文名称: (6-benzyl-3,3,9,9-tetramethyl-4,8-diazaundecane-2,10-dione dioximato(3-)-N,N',N'',N''')cobalt(III) dinitrite
• CAS: 733752-20-0
• 化学式: C₂₀H₃₃CoN₆O₆
• 分子量: 512.512
• InChiKey: BXXZKVLIRBHDNA-JZXDSNTFSA-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：

  potassium nitrite 、 (6-benzyl-3,3,9,9-tetramethyl-4,8-diazaundecane-2,10-dione dioximato(3-)-N,N',N'',N''')cobalt(III) dichloride 在 KOH 作用下， 以 水 为溶剂， 生成 (6-benzyl-3,3,9,9-tetramethyl-4,8-diazaundecane-2,10-dione dioximato(3-)-N,N',N'',N''')cobalt(III) dinitrite
  参考文献：
  名称：

  Modeling Novel Radiopharmaceuticals:  Mono-C6-Substituted PnAO Ligands (PnAO = 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione Dioxime)

  摘要：

  The solid-state behavior of six novel 6-substituted PnAO (propylene amine oxime) complexes (6-11) involving Tc(V), Co(III), and Cu(II) salts is reported. Each of the Tc complexes 6-8 has the C6-substituent located equatorially in a six-membered chelate ring involving a Tc = O unit which has the expected boat geometry. The C6-substituent therefore has little effect on the conformational behavior of the PnAO complex and thus provides an attractive site for further modification. The Co(III) complex 9 has the expected octahedral geometry, while the Cu(II) complexes 10 and 11 form square-based pyramids capped by water molecules. One Cu(II) system (10) contains two unique complexes in the asymmetric unit which are associated via multiple hydrogen bonds to a BF4 anion, the remaining BF4 anion being loosely hydrogen bonded to a coordinating water molecule. The cobalt and copper complexes 9-11 each exhibit a chair conformation for the six-membered chelate ring.

  DOI：

  10.1021/ic0497634