trichloro(oxo)bis(trimethylphosphine)molybdenum(V) | 187026-31-9

• 英文名称: trichloro(oxo)bis(trimethylphosphine)molybdenum(V)
• 英文别名: fac-[MoOCl₃(PMe₃)₂]
• CAS: 187026-31-9
• 化学式: C₆H₁₈Cl₃MoOP₂
• 分子量: 370.455
• InChiKey: HATZMGAKJZFHNE-UHFFFAOYSA-K

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：

  盐酸 、 trichloro(oxo)bis(trimethylphosphine)molybdenum(V) 以 二氯甲烷 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  The [Cl₂OMo(μ-OC₂H₅)₂(μ-HOC₂H₅)MoOCl₂]/PMe₃ System:  A Chameleon Yielding the X-ray Structures of MoOCl₂(PMe₃)₃, MoOCl₃(PMe₃)₂, Mo₄O₄Cl₄(μ₂-OEt)₄(PMe₃)₂(μ₃-O)₂, and MoOCl₃(OPMe₃)(PMe₃)

  摘要：

  The reaction of [Cl2OMo(mu-OC2H5)(2)(mu-HOC2H5)MoOCl2] (1) with 5 equiv of PMe(3) provides a simple route to pure mer-MoOCl2(PMe(3))(3) (3), so that its crystal structure could be determined [C9H27Cl2MoOP3, monoclinic, P2(1)/c, a = 17.138(3) Angstrom, b = 12.808(3) Angstrom, c = 19.226(4) Angstrom, beta = 115.99(1)degrees, Z = 8]. The mechanism of the conversion of 1 to 3 is complex, but one of the intermediates, MoOCl3(PMe(3))2 (4), can be isolated and crystallized, if 1 is reacted only with 3 instead of 5 equiv of PMe(3). 4 further reacts with an excess of PMe(3) to yield 3, providing additional evidence for its intermediacy. The crystal structure of 4 could be determined [C6H18Cl3MoOP2, monoclinic, P2(1)/n, a = 6.468(1) Angstrom, b = 12.677(2) Angstrom, c = 17.791(2) Angstrom, beta = 92.64(1)degrees, Z = 4]. If 4 is not isolated directly after the reaction and its crystallization is attempted from the raw mixture, two different compounds are obtained and their crystal structures were determined: MoOCl3(OPMe(3))(PMe(3)) (5) [C6H18Cl3 MoO2P2, monoclinic, P2(1)/n, a = 6.783(3) Angstrom, b = 12.623(4) Angstrom, c = 18.298(8) Angstrom, beta = 98.58(3)degrees, Z = 4] and Mo4O4Cl4(mu(2)-OC2H5)(4)(PMe(3))(2)(mu(3)-O)(2) (6) [C14H38Cl4Mo4O10P2, monoclinic, P2(1)/c, a = 1117.6(2) Angstrom, b = 1161.6(2) Angstrom, c = 1277.1(3) Angstrom, beta = 109.84(1)degrees, Z = 2]. 4 reacts slowly with CH2Cl2 producing [Me(3)PH](+)[MoOCl4(PMe(3))](-) (7), which can also be found among the products of attempts to crystallize 4 from CH2Cl2/petroleum ether mixtures, while its treatment with an excess of HCl produces [Me(3)PH](+)(2)[MoOCl5](2-) (8). The mechanism of the stepwise fragmentation of 1 yielding 3-7 is discussed.

  DOI：

  10.1021/ic961046p
• 作为产物：
  描述：

  molybdenum-oxy-di-tetrahydrofuran-trichloride 、 三甲基膦 以 二氯甲烷 为溶剂， 反应 1.0h， 以31%的产率得到trichloro(oxo)bis(trimethylphosphine)molybdenum(V)
  参考文献：
  名称：

  具有中性硫属醚配体的三氯化钼（V）配合物的合成，性质和结构特征

  摘要：

  氧三氯钼（V）与中性16族供体配体[MoOCl 3（L–L）]（L–L = RS（CH 2）2 SR，R = i Pr，Ph; MeS（CH 2）3 SMe; MeSe（CH 2）2 SeMe; MeSe（CH 2）3 SeMe），[{MoOCl 2（EMe 2）} 2（μ-Cl）2 ]（E = S，Se，Te），[（MoOCl 3）2 { o -C 6 H 4（EMe）2 }] n（E = Se或Te）和[（MoOCl3） 2 {MeTe（CH 2） 3 TeMe}] n是通过使配体与[MoOCl 3（thf） 2 ]或MoOCl 3在CH 2 Cl 2或甲苯中反应而获得的，并通过红外分析进行了表征以及紫外可见光谱和磁测量。碲醚是包含正氧化态的Mo的第一个实例。被报告为六坐标X射线晶体结构FAC - [MoOCl 3 {MES（CH 2） 3 SMe的}]，聚体- [MoOCl 3 {我的PrS（CH2）

  DOI：

  10.1039/d1dt00038a

文献信息

• The reactions of MoOCl4 with neutral group 15 and 16 ligands and a re-investigation of some N-donor ligand complexes of MoOCl3
  作者：Victoria K. Greenacre、William Levason、James Powell、Gillian Reid、Danielle E. Smith

  DOI：10.1016/j.poly.2021.115262

  日期：2021.8

  reduction to form oxomolybdenum(V) complexes, identified by microanalysis, IR and UV/visible spectroscopy and via X-ray crystal structure analyses of several examples. Unexpectedly, the product formed with SeMe2 was [SeMe3]2[Mo2O2Cl6(μ-Cl)2] and with SMe2, [SMe2Cl]2[Mo2O2Cl6(μ-Cl)2]. X-ray crystal structures are reported for mer-[MoOCl3(MeCN)2], [MoOCl2(MeCN)}2(µ-Cl)2], [MoOCl3MeS(CH2)3SMe}], [SeMe3][MoOCl4(H2O)]

  钼（VI）四氯化丙烷的反应，MoOCl 4，用中性配体，包括的MeCN中，Ph 3 PO，SMe的2，MES（CH 2）3 SMe的，SEME 2，PME 3，2,2'-联吡啶和1,10- -菲咯啉导致还原形成氧钼（V）配合物，通过显微分析，红外和紫外/可见光谱以及几个实例的X射线晶体结构分析确定了。出乎意料的是，由SEMe 2形成的产物是[SEMe 3 ] 2 [Mo 2 O 2 Cl 6（μ-Cl）2 ]，而与SMe 2形成的产物[SMe2 Cl] 2 [Mo 2 O 2 Cl 6（μ-Cl）2 ]。报道了X射线晶体结构聚体- [MoOCl 3（MeCN中）2 ]，[MoOCl 2（MeCN中）} 2（μ-Cl）的2 ]，[MoOCl 3 MES（CH 2）3 SMe的}]， [SEMe 3 ] [MoOCl 4（H 2 O）]，[SMe 2 Cl] 2 [Mo 2 O 2 Cl 6（μ-Cl）2