(η5:η1-C5Me4(CH2)2NMe2)Re(CO)2 | 1615231-54-3

• 英文名称: (η5:η1-C5Me4(CH2)2NMe2)Re(CO)2
• 英文别名: (η⁵:η¹-C₅Me₄(CH₂)₂NMe₂)Re(CO)₂
• CAS: 1615231-54-3
• 化学式: C₁₅H₂₂NO₂Re
• 分子量: 434.552
• InChiKey: OWQXITRIPHZUNU-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  (η5:η1-C5Me4(CH2)2NMe2)Re(CO)2 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 以88%的产率得到trans-[(η5:η1-C5Me4(CH2)2NMe2)Re(CO)2Me]+ [OTf]-
  参考文献：
  名称：

  Synthesis, structure, and reactivity of (η5:η1-C5Me4(CH2)2NMe2)Re(CO)2. Electron transfer behavior of a nitrosyl derivative

  摘要：

  The UV irradiation of a hexane solution of the complex (eta(5)-C5Me4(CH2)(2)NMe2)Re(CO)(3) (1) afforded the chelated species (eta(5):eta(1)-C5Me4(CH2)(2)NMe2)Re(CO)(2) (2). The molecular structure of 2 has been determined by X-ray crystallography. The reaction of 2 with two-electron donor ligands yields (eta(5)-C5Me4(CH2)(2)NMe2)Re(CO)(2)(L) (1, L = CO; 3, L = PMe3). The chelated species 2 also reacts with MeOTf, HBF4, and I-2 to form the cationic compounds trans-[(eta(5)-C5Me4(CH2)(2)NMe2)Re(CO)(2)X](+) ([4](+), X = Me; [5](+), X = H; [6](+), X = 1). The trans stereochemistry of 4-6 have been assigned on the basis of nu(CO) IR intensities and C-13 NMR spectroscopy. Also, complex 2 reacts with nitrosyl tetrafluoroborate to yield [(eta(5)-C5Me4(CH2)(2)NMe2NO)Re(CO)(2)(NO)]BF4 ([7](2+)). The redox behavior of the {ReNO}(6) complex [7](2+) was studied and the products obtained after two-electron reduction were characterized by IR. DFT calculations were done to optimize the structure of [7](2+) and to study the effect of the sidearm coordination on the electronic structure of a cyclopentadienyl {ReNO}(8) complex. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.019
• 作为产物：
  描述：

  (η5-C5Me4(CH2)2NMe2)Re(CO)3 以 正己烷 为溶剂， 反应 2.0h， 以44%的产率得到(η5:η1-C5Me4(CH2)2NMe2)Re(CO)2
  参考文献：
  名称：

  Synthesis, structure, and reactivity of (η5:η1-C5Me4(CH2)2NMe2)Re(CO)2. Electron transfer behavior of a nitrosyl derivative

  摘要：

  The UV irradiation of a hexane solution of the complex (eta(5)-C5Me4(CH2)(2)NMe2)Re(CO)(3) (1) afforded the chelated species (eta(5):eta(1)-C5Me4(CH2)(2)NMe2)Re(CO)(2) (2). The molecular structure of 2 has been determined by X-ray crystallography. The reaction of 2 with two-electron donor ligands yields (eta(5)-C5Me4(CH2)(2)NMe2)Re(CO)(2)(L) (1, L = CO; 3, L = PMe3). The chelated species 2 also reacts with MeOTf, HBF4, and I-2 to form the cationic compounds trans-[(eta(5)-C5Me4(CH2)(2)NMe2)Re(CO)(2)X](+) ([4](+), X = Me; [5](+), X = H; [6](+), X = 1). The trans stereochemistry of 4-6 have been assigned on the basis of nu(CO) IR intensities and C-13 NMR spectroscopy. Also, complex 2 reacts with nitrosyl tetrafluoroborate to yield [(eta(5)-C5Me4(CH2)(2)NMe2NO)Re(CO)(2)(NO)]BF4 ([7](2+)). The redox behavior of the {ReNO}(6) complex [7](2+) was studied and the products obtained after two-electron reduction were characterized by IR. DFT calculations were done to optimize the structure of [7](2+) and to study the effect of the sidearm coordination on the electronic structure of a cyclopentadienyl {ReNO}(8) complex. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.019