2a-chloro-2a-(3,5-di-tert-butyl-4-((trimethylsilyl)oxy)phenyl)-2,2,3,3-tetramethyl-2,2a,3,4-tetrahydro-1H-2,3-diaza-2a5-bismacyclopenta[hi]indene-2,3-diium | 1433927-32-2

• 英文名称: 2a-chloro-2a-(3,5-di-tert-butyl-4-((trimethylsilyl)oxy)phenyl)-2,2,3,3-tetramethyl-2,2a,3,4-tetrahydro-1H-2,3-diaza-2a5-bismacyclopenta[hi]indene-2,3-diium
• CAS: 1433927-32-2
• 化学式: C₂₉H₄₈BiClN₂OSi
• 分子量: 713.232
• InChiKey: UPKIJTQHCXICDQ-UHFFFAOYSA-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

• 作为反应物：
  描述：

  2a-chloro-2a-(3,5-di-tert-butyl-4-((trimethylsilyl)oxy)phenyl)-2,2,3,3-tetramethyl-2,2a,3,4-tetrahydro-1H-2,3-diaza-2a5-bismacyclopenta[hi]indene-2,3-diium 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 C₁₂H₁₉BiN₈
  参考文献：
  名称：

  Insertion of CO₂ and COS into Bi–C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me₂NCH₂)₂C₆H₃]Bi(C₆H₂^tBu₂O)

  摘要：

  The reactivity of the unusual oxyaryl dianionic ligand, ((C6H2Bu2)-Bu-t-3,5-O-4)(2-), in the Bi3+ NCN pincer complex Ar'Bi((C6H2Bu2)-Bu-t-3,5-O-4), 1, [Ar' = 2,6-(Me2NCH2)(2)C6H3] has been explored with small molecule substrates and electrophiles. The first insertion reactions of CO2 and COS into Bi-C bonds are observed with this oxyaryl dianionic ligand complex. These reactions generate new dianions that have quinoidal character similar to the oxyaryl dianionic ligand in 1. The oxyarylcarboxy and oxyarylthiocarboxy dianionic ligands were identified by X-ray crystallography in Ar'Bi[O2C((C6H2Bu2)-Bu-t-3-5-O-4)-kappa O-2,O'], 2, and Ar'B[OSC((C6H2Bu2)-Bu-t-3-5-O-4)-kappa O-2,S], 3, respectively. Silyl halides and pseudohalides, R3SiX (X = Cl, CN, N-3; R = Me, Ph), react with 1 by attaching X to bismuth and R3Si to the oxyaryl oxygen to form Ar'Bi(X)((C6H2Bu2)-Bu-t-3,5-OSiR3-4) complexes, a formal addition across five bonds. These react with additional R3SiX to generate Ar'BiX2 complexes and (R3SiOC6H3Bu2)-Bu-t-2,6. The reaction of 1 with I-2 forms Ar'BiI2 and the coupled quinone, 3,3',5,5'-tetra-tert-butyl-4,4'-diphenoquinone, by oxidative coupling.

  DOI：

  10.1021/ja403133f
• 作为产物：
  描述：

  2,6-二-叔-丁基苯酚钾 以 四氢呋喃 为溶剂， 反应 7.0h， 生成 2a-chloro-2a-(3,5-di-tert-butyl-4-((trimethylsilyl)oxy)phenyl)-2,2,3,3-tetramethyl-2,2a,3,4-tetrahydro-1H-2,3-diaza-2a5-bismacyclopenta[hi]indene-2,3-diium
  参考文献：
  名称：

  Insertion of CO₂ and COS into Bi–C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me₂NCH₂)₂C₆H₃]Bi(C₆H₂^tBu₂O)

  摘要：

  The reactivity of the unusual oxyaryl dianionic ligand, ((C6H2Bu2)-Bu-t-3,5-O-4)(2-), in the Bi3+ NCN pincer complex Ar'Bi((C6H2Bu2)-Bu-t-3,5-O-4), 1, [Ar' = 2,6-(Me2NCH2)(2)C6H3] has been explored with small molecule substrates and electrophiles. The first insertion reactions of CO2 and COS into Bi-C bonds are observed with this oxyaryl dianionic ligand complex. These reactions generate new dianions that have quinoidal character similar to the oxyaryl dianionic ligand in 1. The oxyarylcarboxy and oxyarylthiocarboxy dianionic ligands were identified by X-ray crystallography in Ar'Bi[O2C((C6H2Bu2)-Bu-t-3-5-O-4)-kappa O-2,O'], 2, and Ar'B[OSC((C6H2Bu2)-Bu-t-3-5-O-4)-kappa O-2,S], 3, respectively. Silyl halides and pseudohalides, R3SiX (X = Cl, CN, N-3; R = Me, Ph), react with 1 by attaching X to bismuth and R3Si to the oxyaryl oxygen to form Ar'Bi(X)((C6H2Bu2)-Bu-t-3,5-OSiR3-4) complexes, a formal addition across five bonds. These react with additional R3SiX to generate Ar'BiX2 complexes and (R3SiOC6H3Bu2)-Bu-t-2,6. The reaction of 1 with I-2 forms Ar'BiI2 and the coupled quinone, 3,3',5,5'-tetra-tert-butyl-4,4'-diphenoquinone, by oxidative coupling.

  DOI：

  10.1021/ja403133f