syn-(PhPS(C5H4)2)2Fe2 | 849114-12-1

• 英文名称: syn-(PhPS(C5H4)2)2Fe2
• CAS: 849114-12-1；315195-61-0；849115-98-6
• 化学式: C₃₂H₂₆Fe₂P₂S₂
• 分子量: 648.332
• InChiKey: NDPVFLJSEGTZKG-UHFFFAOYSA-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  syn-(PhPS(C5H4)2)2Fe2 在 Si₂Cl₆ 作用下， 以 苯 为溶剂， 以85%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
• 作为产物：
  描述：

  syn-(PhP(C5H4)2)2Fe2 、 sulfur 以 二氯甲烷 为溶剂， 生成 syn-(PhPS(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
• Photolytic Ring-Opening Polymerization of Phosphorus-Bridged [1]Ferrocenophane Coordinating to an Organometallic Fragment
  作者：Tsutomu Mizuta、Makoto Onishi、Katsuhiko Miyoshi

  DOI：10.1021/om000453c

  日期：2000.11.1

  phosphorus-bridged [1]ferrocenophane were prepared by reaction of their appropriate THF complexes with (1,1‘-ferrocenediyl)phenylphosphine (1). The monomer complexes [Mn(η5-C5H4R)(CO)2(1)] (R = Me, H) and [W(CO)5(1)] thus obtained were found to undergo a ring-opening polymerization (ROP) upon irradiation with UV−vis light for 10 min in THF or acetonitrile. Because they polymerize in the same manner

  通过使合适的THF配合物与（1,1'-二茂铁基）苯基膦（1）反应，可以制备带有应变磷桥联[1]二茂铁oph烷的锰和钨配合物。单体配合物[锰（η 5 -C 5 H ^ 4 R）（CO）2（1）]（R = Me中，H）和[W（CO）5（1）]由此获得的被发现经过环-在THF或乙腈中用UV-vis光照射10分钟后，打开聚合（ROP）。因为它们以与游离配体1相同的方式聚合在金属片段完整的情况下，光聚合反应被认为适用于各种带有1作为配体的有机金属片段。