(dippe)Pt(norbornene)₂ | 1334109-50-0

• 英文名称: (dippe)Pt(norbornene)₂
• 英文别名: (dippe)Pt(NBE)₂；(1,2-bis(diisopropylphosphino)ethane)Pt(norbornene)2；(dippe)Pt(NBE)2；(dippe)Pt(nor)2
• CAS: 1334109-50-0
• 化学式: C₂₈H₅₂P₂Pt
• 分子量: 645.748
• InChiKey: XFYHDEBUUPPAJK-ZGWVESOUSA-N

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

• 作为反应物：
  描述：

  (dippe)Pt(norbornene)₂ 以 氘代苯 、 正戊烷 为溶剂， 反应 120.33h， 生成 (dippe)Pt(SPh)(CHCH2)
  参考文献：
  名称：

  C–S bond activation of thioethers using (dippe)Pt(NBE)2

  摘要：

  The complex (dippe)Pt(NBE)(2) (NBE = norbornene) reacts with thioethers RSR' upon heating to give C-S oxidative addition products (RSR' = Ph2S, PhSMe, PhSallyl, MeSallyl, PhSvinyl, PhCH2SMe, PhSCF3, and dithiane). Continued heating leads to disproportionation and formation of R-2' and (dippe)Pt(SR)(2) in several cases. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.07.071
• 作为产物：
  描述：

  降冰片烯 、 bis(benzonitrile)dichloroplatinum(II) 在 SmI₂ 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 (dippe)Pt(norbornene)₂
  参考文献：
  名称：

  C–S Bond Activation of Thioesters Using Platinum(0)

  摘要：

  C-S bond activation of both cyclic and acyclic thioesters using (dippe)Pt(NBE)(2) (NBE = norbomene) are reported. In the cases of S-methyl thio acetate and S-ethyl thioacetate, (dippe)Pt(C(O)Me)(SR) (R = Me, Et) formed initially. Further heating in the presence of excess thioester led to formation of the final complex (dippe)Pt(SR)(2) along with acetone and RSMe as organic side products. Pt(IV) intermediates are proposed to be involved in the reaction mechanism.

  DOI：

  10.1021/om200452z

文献信息

• Predicting Selectivity in Oxidative Addition of C–S Bonds of Substituted Thiophenes to a Platinum(0) Fragment: An Experimental and Theoretical Study
  作者：Tülay A. Ateşin、Sabuj Kundu、Karlyn Skugrud、Katherine A. Lai、Brett D. Swartz、Ting Li、William W. Brennessel、William D. Jones

  DOI：10.1021/om200352d

  日期：2011.9.12

  Exchange reactions of 2- and 3-cyanothiophene, 2- and 3-methylthiophene, and 2- and 3-methoxythiophene, either with thiophene in the thiaplatinacycle Pt(dippe) (kappa(2)-C,S-C4H4S) or with norbornene in Pt(dippe)(nor)(2), were performed to probe the kinetic and thermodynamic selectivity of the C-S bond activation reactions. Kinetic data were collected by following these reactions by P-31H-1} NMR spectroscopy. The ground-state energies of the two possible products and the transition-state energies leading to the formation of these products were calculated using density functional theory. The comparison of the predicted selectivities from calculations with the experimentally observed selectivities showed good agreement for thermodynamic selectivity, but only moderate agreement for kinetic selectivity. The reactions with 2-cyanothiophene, 3-cyanothiophene, and 3-methoxythiophene gave kinetic products that were less favored thermodynamically. All of the other substituted thiophenes gave kinetic products that were also preferred thermodynamically. These results indicate that the selectivities seen in the C-S bond activation reactions of substituted thiophenes with the [Pt(dippe)] fragment are initially under kinetic control.