syn-(PhP(C5H4)2)2Fe2 | 315195-66-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: syn-(PhP(C5H4)2)2Fe2
• 英文别名: di(cyclopenta-1,3-dien-1-yl)-phenylphosphane;iron(2+)
• CAS: 315195-66-5；849115-97-5；849115-99-7
• 化学式: C₃₂H₂₆Fe₂P₂
• 分子量: 584.2
• InChiKey: NLLASXAHUHIYAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 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：

  methylcyclopentadienyl manganese(I) tricarbonyl 、 syn-(PhP(C5H4)2)2Fe2 以 not given 为溶剂， 生成
  参考文献：
  名称：

  磷桥[1.1]二茂铁烷的立体选择性合成和配位行为

  摘要：

  用氯化的混合物的盐酸顺-和反-P（NET 2）-bridged [1.1]二茂铁基3衍生自的[Fe {（η 5 -C 5 H ^ 4）的PCl（NET 2）} 2 ] 2伴随着容易防-到-顺式转换，得到顺式的的PCl桥接异构体[1.1]二茂铁基顺式- 4收率选择性在90％以上，和治疗的顺式- 4与PhLi中，Me 3 SICH 2 Li或p-TolMgBr提供相应的二芳基或二烷基化化合物syn - 5至syn - 7。的反应顺- 5与[的PdCl 2（COD）]，[PDME 2（TMEDA）]，和的NiCl 2分别给出四坐标[的PdCl 2（顺式- 5）]，[PDME 2（顺式- 5）]，和[NiCl 2（syn - 5）]配合物，前两种具有扭曲的正方形平面结构，后者采用四面体几何形状。此外，syn - 5充当钢琴凳上的Mn羰基配合物片段的桥连配体，从而产生新型双核配合物[{Cp'Mn（CO）2

  DOI：

  10.1021/om050809q
• 作为产物：
  描述：

  1,1'-(ferrocenediyl)phenylphosphine 以 乙醚 为溶剂， 以32%的产率得到syn-(PhP(C5H4)2)2Fe2
  参考文献：
  名称：

  Phosphorus-Bridged [1.1]Ferrocenophane with syn and anti Conformations

  摘要：

  Photolysis of PPh-bridged [1]ferrocenophane (1) in THF gave PPh-bridged [1.1]ferrocenophane (2) as a minor dimer along with major polymeric products. After subsequent sulfurization of the reaction mixture with elemental sulfur, both syn and anti isomers of P(S)Ph-bridged [1.1]ferrocenophane (3) were successfully isolated and characterized by X-ray analysis. syn-3 thus obtained was desulfurized stereoretentively to syn-2 with Si2Cl6 in refluxing benzene, while anti-3 primarily gave the isomerized product, syn-2. Stereoretentive desulfurization of anti-3 to anti-2 was achieved with CF3SO3Me/P(NMe2)(3) at room temperature. anti-2 thus obtained could be converted almost completely to syn-2 upon simple heating in toluene, indicative of the thermal instability of the anti isomer over the Syn isomer. The yield of syn-2 was improved from 9% to 32% when THF used in the photolysis was replaced with ether and the reaction mixture was heated so as to isomerize anti-2, which had been formed concomitantly. A potential utility of syn-2 as a ligand was demonstrated by the formation of [CoCl2(syn-2)] (5) through a reaction of syn-2 with CoCl2.

  DOI：

  10.1021/om049155w

文献信息

• Structure and Properties of the Macrocyclic Tridentate Ferrocenylphosphine Ligand (−PhPC₅H₄FeC₅H₄−)₃
  作者：Tsutomu Mizuta、Tomoyuki Aotani、Yuki Imamura、Kazuyuki Kubo、Katsuhiko Miyoshi

  DOI：10.1021/om800057w

  日期：2008.6.9

  respective tridentate macrocyclic phosphine ligands. The molecular structure of one isomer (C3 isomer) with C3 symmetry was determined by X-ray analysis, while the other was identified as the Cs isomer on the basis of 1H, 13C, and 31P NMR data. When the C3 isomer was heated in toluene at around 80 °C, it isomerized gradually but almost completely to the Cs isomer with the activation energy ΔG350⧧ = 26.2

  对新型三齿二茂铁基膦大环化合物（-PhPC 5 H 4 FeC 5 H 4-）3进行了分离和表征， 如下。PPh-桥联的[1]二茂铁链烷在乙醚中的光解开环反应产生了其低聚物的混合物。硫化后，低分子量物质的GPC分离得到大环三聚体的两个异构体1,1''：1'，1''''：1'''，1'''''-tris（苯基硫代次膦基）tris（二茂铁），其中三个1,1'-二茂铁基单元和三个P（S）Ph基团交替连接形成一个大环。尽管两种异构体的收率都很低（总计17％），但是通过MeOTf / P（NMe 2）3（OTf = CF 3 SO 3），得到各自的三齿大环膦配体。通过X射线分析确定了一种具有C 3对称性的异构体（C 3异构体）的分子结构，而另一种基于1 H，13 C和31 P NMR数据鉴定为C s异构体。当将C 3异构体在甲苯中于80°C加热时，它逐渐但几乎完全异构化为C s异构体，其活化能为ΔG