[IrCl2Cp*(4-amino-2,1,3-benzothiadiazole)] | 1389208-58-5

• 英文名称: [IrCl2Cp*(4-amino-2,1,3-benzothiadiazole)]
• CAS: 1389208-58-5
• 化学式: C₁₆H₂₀Cl₂IrN₃S
• 分子量: 549.547
• InChiKey: MNYYRCZNSPZQNB-UHFFFAOYSA-L

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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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 4-氨基-2,1,3-苯并噻二唑 以 甲苯 为溶剂， 以70%的产率得到[IrCl2Cp*(4-amino-2,1,3-benzothiadiazole)]
  参考文献：
  名称：

  Iridium complexes with 2,1,3-benzothiadiazole and related ligands

  摘要：

  The reaction of [IrCp*Cl(mu-Cl)](2) (5) with 2,1,3-benzothiadiazole (1) in a 1:1 ratio gives the binuclear complex [Ir2Cp*Cl-2(4)(mu, eta(2)-1)] (6) where 1 acts as a bridging ligand. The 4-XH derivatives of 1 (2, X = O; 3, X = NH) interacted with 5 in various ways. Under basic conditions, 2 and 5 form chelate complexes [IrCp*CIL] (7) (L = C6H3ON2S) (isolated in the form of a co-crystal with the initial 2 and in the individual form, in both cases with solvated toluene) or [Ir2Cp*Cl-2(3)(mu, eta(3)-L)] (8) in the 4:1, 2:1 or 1:1 reactions, respectively. Derivative 3, even with an excess of 5, affords only the mononuclear complex [IrCp*Cl-2(3)] (9) where 3 acts as a monodentate ligand, bonded to the Ir center by the ring N atom. A similar complex, [IrCp*Cl-2(4)] (10), was also obtained from 5 and acenaphtho[1,2-c][1,2,5]thiadiazole (4) in excess of the former reagent. The structures of complexes 6-10 were confirmed by single-crystal X-ray diffraction. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.05.015