trans-[Re(2,2':6',2''-terpyridine)(tert-butylisocyanide)2(η(2)-acetone)](trifluoromethanesulfonate) | 220937-30-4

• 英文名称: trans-[Re(2,2':6',2''-terpyridine)(tert-butylisocyanide)2(η(2)-acetone)](trifluoromethanesulfonate)
• CAS: 220937-30-4
• 化学式: CF₃O₃S*C₂₈H₃₅N₅ORe
• 分子量: 792.896
• InChiKey: GIXKSOMLUOFHBN-UHFFFAOYSA-M

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：
  None
• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  trans-[Re(2,2':6',2''-terpyridine)(tert-butylisocyanide)2(η(2)-acetone)](trifluoromethanesulfonate) 、 三氟甲烷磺酸甲酯 在 2,6-di-tert-butylpyridine 作用下， 以 乙腈 为溶剂， 以75%的产率得到trans-[Re(2,2':6',2''-terpyridine)(tert-butylisocyanide)2(η(2)-acetoneMe)](trifluoromethanesulfonate)2
  参考文献：
  名称：

  Rhenium(I) Terpyridine π-Bases:  Reversible η²-Coordination of Ketones, Aldehydes, and Olefins in the Terpyridine Plane

  摘要：

  The complex trans-[Re(terpy)(Br)(PPh3)(2)][OTf] (2) (terpy = 2,2':6',2"-terpyridine) is a convenient precursor to the electron-rich pi-basic fragment {(terpy)(L)(2)Re}(+) (L = (BuNC)-Bu-t or PMe3). Reduction of 2 with activated magnesium in the presence of unsaturated organic molecules and an excess of either tBuNC or PMe3 yields complexes of the type trans-[(terpy)(L)(2)Re(eta(2)-pi)][OTf] (L = (BuNC)-Bu-t or PMe3; pi = olefin, aldehyde, or ketone), The dihapto-coordinated organic moieties show a preference for binding in the plane of the terpy ligand. Reaction of trans- [Re(terpy)((BuNC)-Bu-t)(2)(eta(2)-acetone)][OTf] (9) with MeOTf yields an observable mu(2)-ketonium complex, The electronic environment of these complexes has been probed by cyclic voltammetry, and the details of ligand exchange for the eta(2)-ketone complexes are presented. Geometric features determined from X-ray crystal structure analyses of trans-[(terpy)((BuNC)-Bu-t)(2)Re(eta(2)-cyclopentene)][OTf] (4) and trans-[(terpy)((BuNC)-Bu-t)(2)Re(eta(2)-acetophenone)][OTf] (11) are reported.

  DOI：

  10.1021/om980500p
• 作为产物：
  描述：

  trans-[Re(2,2':6',2''-terpyridine)(PPh3)2Br](trifluoromethanesulfonate) 、 异氰酸叔丁酯 、 丙酮 在 Mg 作用下， 以 丙酮 为溶剂， 以66%的产率得到trans-[Re(2,2':6',2''-terpyridine)(tert-butylisocyanide)2(η(2)-acetone)](trifluoromethanesulfonate)
  参考文献：
  名称：

  Rhenium(I) Terpyridine π-Bases:  Reversible η²-Coordination of Ketones, Aldehydes, and Olefins in the Terpyridine Plane

  摘要：

  The complex trans-[Re(terpy)(Br)(PPh3)(2)][OTf] (2) (terpy = 2,2':6',2"-terpyridine) is a convenient precursor to the electron-rich pi-basic fragment {(terpy)(L)(2)Re}(+) (L = (BuNC)-Bu-t or PMe3). Reduction of 2 with activated magnesium in the presence of unsaturated organic molecules and an excess of either tBuNC or PMe3 yields complexes of the type trans-[(terpy)(L)(2)Re(eta(2)-pi)][OTf] (L = (BuNC)-Bu-t or PMe3; pi = olefin, aldehyde, or ketone), The dihapto-coordinated organic moieties show a preference for binding in the plane of the terpy ligand. Reaction of trans- [Re(terpy)((BuNC)-Bu-t)(2)(eta(2)-acetone)][OTf] (9) with MeOTf yields an observable mu(2)-ketonium complex, The electronic environment of these complexes has been probed by cyclic voltammetry, and the details of ligand exchange for the eta(2)-ketone complexes are presented. Geometric features determined from X-ray crystal structure analyses of trans-[(terpy)((BuNC)-Bu-t)(2)Re(eta(2)-cyclopentene)][OTf] (4) and trans-[(terpy)((BuNC)-Bu-t)(2)Re(eta(2)-acetophenone)][OTf] (11) are reported.

  DOI：

  10.1021/om980500p