[Cu(ethylenediamine)₂(H₂O)Br]Br | 15096-37-4

• 英文名称: [Cu(ethylenediamine)₂(H₂O)Br]Br
• CAS: 15096-37-4；21259-13-2；60513-35-1
• 化学式: Br*C₄H₁₈BrCuN₄O
• 分子量: 361.567
• InChiKey: VBRGFDYSPUTKMW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  水 、 乙二胺 、 copper(ll) bromide 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [Cu(ethylenediamine)₂(H₂O)Br]Br
  参考文献：
  名称：

  Novel Mixed Complexes of Copper(II) and Ethylenediamine: Synthesis, Crystal Structure, and Catalytic Activity in the Cross-Coupling Reaction of 1-Phenyl-5H-tetrazole-5-thiol and Iodobenzene

  摘要：

  Two earlier unknown complexes, [Cu(en)(2)(Hptt)]Br (Hptt = 1-phenyl-1H-terazole-5-thiol, en = ethylenediamine) and trans-[Cu(en)2(H2O)Br]Br, have been synthesized and characterized using X-ray diffraction analysis. In [Cu(en)(2)(Hptt)]Br complex, the copper cation is bonded with the N-4 atom of tetrazole ring. Catalytic activity of the obtained complexes in cross-coupling reaction of 1-phenyl-5H-tetrazole-5-thiol with iodobenzene is comparable to that of CuBr2 in the presence of 2 eq. of ethylenediamine.

  DOI：

  10.1134/s1070363218030155
• 作为试剂：
  描述：

  碘苯 、 1-苯基-5-巯基四氮唑 在 [Cu(ethylenediamine)₂(H₂O)Br]Br 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以61%的产率得到1-phenyl-5-(phenylthio)-1H-tetrazole
  参考文献：
  名称：

  Novel Mixed Complexes of Copper(II) and Ethylenediamine: Synthesis, Crystal Structure, and Catalytic Activity in the Cross-Coupling Reaction of 1-Phenyl-5H-tetrazole-5-thiol and Iodobenzene

  摘要：

  Two earlier unknown complexes, [Cu(en)(2)(Hptt)]Br (Hptt = 1-phenyl-1H-terazole-5-thiol, en = ethylenediamine) and trans-[Cu(en)2(H2O)Br]Br, have been synthesized and characterized using X-ray diffraction analysis. In [Cu(en)(2)(Hptt)]Br complex, the copper cation is bonded with the N-4 atom of tetrazole ring. Catalytic activity of the obtained complexes in cross-coupling reaction of 1-phenyl-5H-tetrazole-5-thiol with iodobenzene is comparable to that of CuBr2 in the presence of 2 eq. of ethylenediamine.

  DOI：

  10.1134/s1070363218030155

文献信息

• Ultrasound-assisted synthesis of two novel [CuBr(diamine)2·H2O]Br complexes: Solvatochromism, crystal structure, physicochemical, Hirshfeld surface thermal, DNA/binding, antitumor and antibacterial activities
  作者：Ismail Warad、Firas F. Awwadi、Bahaa Abd Al-Ghani、Ashraf Sawafta、Naveen Shivalingegowda、Neartur Krishnappagowda Lokanath、Mohammad S. Mubarak、Taibi Ben Hadda、Abdelkader Zarrouk、Fuad Al-Rimawi、Abdallah Bani Odeh、Sameer A. Barghouthi

  DOI：10.1016/j.ultsonch.2018.05.009

  日期：2018.11

  to crystal structure three dimensional architecture packing. Hirshfeld surfaces (HSA) analysis was served to figure out the inter-contacts and fingerprints atoms percentage. DNA-binding, antitumor and antibacterial effectiveness of the desired complexes were evaluated.

  制备了两种新的具有通式[CuBr（NN）2 .H 2 O] Br的1,3-丙二胺和1,2-乙二胺的水合单阳离子Cu（II）配合物。通过多种光谱学工具（紫外可见光，红外和质谱），热分析（TG / DTA）和CHN元素分析鉴定了配合物。X射线衍射研究提供了配合物A和B的三维结构，表明Cu（II）离子为4 + 1 + 1配位，二胺配体的四个氮原子，一个溴离子和一个H 2 O半-与Cu（II）中心协调，在两个络合物中可以清楚地观察到典型的反式作用。分子晶体结构通过几个H键，例如N__H ... Br和N__H ... O。另外，观察到了C__H .... Br类分子内的H键；这些相互作用导致晶体结构三维结构堆积。进行了Hirshfeld表面（HSA）分析，以得出接触间和指纹原子的百分比。评价了所需复合物的DNA结合，抗肿瘤和抗菌效力。