bis(diisopropylthiophosphoryl)ferrocene dihydrate | 342774-20-3

• 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: bis(diisopropylthiophosphoryl)ferrocene dihydrate
• 英文别名: dippfS2；cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-sulfanylidene-λ5-phosphane;iron(2+)
• CAS: 342774-20-3
• 化学式: C₂₂H₃₆FeP₂S₂
• 分子量: 482.454
• InChiKey: VKZNIOMWXJBRHS-UHFFFAOYSA-N

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：

  bis(diisopropylthiophosphoryl)ferrocene dihydrate 、 (4-甲氧基苯基)TeCl3 以 二氯甲烷 、 乙腈 为溶剂， 以62%的产率得到[(4-MeOC6H4TeCl3)2(μ-i-Pr2P(S)-Fc-P(S)-i-Pr2)]
  参考文献：
  名称：

  Tellurium complexes with new, large-bite dithio ligands. The crystal structures of cis- and trans- [Te{Ph2P(S)NP(S)(OPh)2}2] and [(4-MeOC6H4TeCl3)2{μ- Pr2P(S)FcP(S) Pr2}]

  摘要：

  Reaction of the protonated large-bite bidentate ligand Ph2P(S)-NH-P(S)(OPh)(2) with [Te{NH2)(2)CS}(4)]Cl-2 resulted in the complex [Te(L-L)(2)] (1a), where (L-L)(-) = Ph2P(S)-N-P(S)(OPh)(2). When (L-L)(-) reacted with 4-MeOC6H4TeCl3, an isomeric complex, 1b. resulted. Reaction between the less basic ligand 'Pr2P(S)-Fc-P(S)'Pr-2 (Fc = ferrocene) and 4-MeOC6H4TeCl3 yielded the complex [(4-MeOC6H4TeCl3)(2) {mu-'Pr2P(S)-Fc-P(S)'Pr-2}], (2). X-ray crystallographic studies show that 1a and 1b both are square planar complexes of Te(II), 1a being asymmetric and 'cis' with two short Te-S bonds trans to two long Te-S bonds (average bond lengths being 2.5415 and 2.9050 Angstrom). Isomer Ib is centrosymmetric, 'trans', with nearly equal Te-S bond lengths averaging 2.6805 Angstrom. Complex 2 is an addition compound where the large dithio ligand bridges two 4-MeOC6H4TeCl3 units through weak Te-S bonds. The resulting coordination around each Te(IV) atom is psi -octahedral with the lone pair of electrons and aryl in axial positions relative to the TeCl3S equatorial plane. Here the Te-S bond lengths are 2.7560(16) and 2.6910(12) Angstrom. The trans influence of the dithio ligand in 2 is smaller than that of Cl-, resulting in an average Te-Cl bond length trans to sulfur of only 2.4196 Angstrom, while the other Te-Cl bond lengths average 2.4959 Angstrom. The reason for the lower basic nature of the ligand with a P-Fc-P backbone compared to those with PN-P backbones, is that it lacks a central charge donating group like N-. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00656-2
• 作为产物：
  描述：

  氯二异丙基膦 、 二茂铁 、 sulfur 在 n-butyllithium 、 N,N,N',N'-tetramethylethylenediamine 作用下， 以 氯仿 为溶剂， 以54.9%的产率得到bis(diisopropylthiophosphoryl)ferrocene dihydrate
  参考文献：
  名称：

  The synthesis and characterisation of bis(diisopropylphosphoryl)ferrocene Fe[(η5-C5H4)P(O) Pr2]2, bis(diisopropylthiophosphoryl)ferrocene Fe[(η5-C5H4)P(S) Pr2]2, and bis(diisopropylselenophosphoryl)ferrocene Fe[(η5-C5H4)P(Se) Pr2]2, the oxidised derivatives of bis(diisopropylphosphino)ferrocene

  摘要：

  The synthesis and spectroscopic characterisation of three chalcogenophosphoryl ligands derived from ferrocene is reported. The synthesis was based on the oxidation of Fe[(eta (5)-C5H4)P ' Pr-2](2) by elementary sulfur and selenium, and hydrogen peroxide, respectively. All new compounds were characterised by X-ray crystallography and comparison with their aryl analogues was made. Contrary to Fe[(eta (5)-C5H4)P(E)Ph-2](2) (E = O, S, Se), the prepared compounds are not centrosymmetric, with the iso-propyl groups showing more flexibility than the phenyl substituents. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00709-4