Mo2(CO)4(μ-MeCO2CCCO2Me)(η-C5H5)2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Mo2(CO)4(μ-MeCO2CCCO2Me)(η-C5H5)2
• 英文别名: [Mo2(μ-MeO2CCCCO2Me)(CO)4Cp2]；[Mo2(μ-C2(CO2Me)2)(CO)4Cp2]
• 化学式: C₂₀H₁₆Mo₂O₈
• 分子量: 576.222
• InChiKey: RPTGLHWIIRPCLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.22
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  56.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Mo2(CO)4(μ-MeCO2CCCO2Me)(η-C5H5)2 在 air 、 Me₃NO 作用下， 以 乙腈 为溶剂， 以31%的产率得到
  参考文献：
  名称：

  Use of trimethylamine N-oxide in the controlled air-oxidation of metal carbonyl complexes; synthesis and crystal structure of a novel organometallic oxo complex of dimolybdenum

  摘要：

  The air oxidation of [Mo2(CO)4(µ-RCCR′)(η5-C5H5)2] in the presence of trimethylamine N-oxide affords the novel organometallic complexes [Mo2(CO)4)(µ-RCCR′)(η5-C5H5)2](R = R′= CO2Me or Ph; R = CO2Me, R′= H; R = Ph, R′= H) which are characterised spectroscopically; the structure of [Mo2O2(µ-O)(µ-MeO2C–C2-CO2Me)(η5-C5H5)2]1 is determined by X-ray crystallography.

  DOI：

  10.1039/c39950001269

文献信息

• Reactions of [Mo2(μ-RC2R)(CO)4Cp2] (R = CO2Me, Cp = η-C5H5) with P2Ph4, PPh2H and R1SH (R1 = Et, Pri, C6H4Me-p or But): stabilisation of μ-vinyl complexes by chelating substituents
  作者：Harry Adams、Andreas Biebricher、Sally R. Gay、Trevor Hamilton、Paul E. McHugh、Michael J. Morris、Martin J. Mays

  DOI：10.1039/b004210m

  日期：——

  dimolybdenum alkyne complex [Mo2(μ-C2R2)(CO)4Cp2] 1 (R = CO2Me; Cp = η-C5H5) reacts with P2Ph4 to afford three major products, which have been identified as the phosphido-bridged vinyl complexes cis- and trans-[Mo2(μ-CRCHR)(μ-PPh2)(CO)2Cp2] (two separable isomers, 2 and 3 respectively) and [Mo2(μ-CRCRCHO)(μ-PPh2)(CO)2Cp2] 4. The crystal structure of 3 has been determined and shows that the CO2Me group attached

  炔的dimolybdenum络合物[沫2（μ-C 2 - [R 2）（CO）4的Cp 2 ] 1（R = CO 2我; CP =η-C 5 H ^ 5）反应以P 2博士4，得到三种主要产物，已被鉴定为磷酸桥连乙烯基塑料配合物的顺式-和反式- [沫2（μ-CR CHR）（μ-PPH 2）（CO）2的Cp 2 ]（两个可分离的异构体，2和3分别地）和[沫2（μ-CR CRCHO）（μ -PPh 2）（CO）2 Cp 2 ] 4。确定了3的晶体结构，结果表明CO 2 Me基团附着在C的β-碳原子上。乙烯基塑料 配体 通过 羰基，从而形成五元螯合环。的反应1与PPH 2中的H回流甲苯给出了相同的三种配合物，而在室温下，在室温下，用PPh 2 H处理1三甲胺N-氧化物得到单取代的配合物[沫2（μ-C 2 - [R 2）（CO）3（PPH 2 1H）的Cp 2 ] 6与少量一起4 ;热分解的6也产生2，3和4。治疗1与硫醇[R
• Deconstruction of cyclic and acyclic trithiocarbonates by C–S and CS bond cleavage during oxidative decarbonylation of dimolybdenum alkyne complexes †
  作者：Harry Adams、Christopher Allott、Matthew N. Bancroft、Michael J. Morris

  DOI：10.1039/b004293p

  日期：——

  The dimolybdenum alkyne complex [Mo2(μ-R1CCR2)(CO)4Cp2] 1 (Cp = η-C5H5; R1 = R2 = CO2Me) reacted with the 1,3-dithiole-2-thiones SCS2C2R2 (R = CO2Me, SMe, or SCOPh) to afford the new compounds [Mo2(μ-S)(μ-SCR CRSCCR1CR2)Cp2] by a complicated process involving cleavage of the CS bond to give a μ-sulfido ligand, ring opening of the heterocycle and coupling with the alkyne to afford a hybrid thiolate-dimetalla-allyl ligand. One of these products (R = R1 = R2 = CO2Me) has been structurally characterised. The alkyne complexes 2 (R1 = R2 = CO2Et) and 3 (R1 = R2 = Ph) furnished analogous products on treatment with SCS2C2(CO2Me)2 whereas 4, the dimolybdenum complex of the unsymmetrical alkyne PhCCCO2Et, gave two regioisomers, both of which have also been structurally characterised. Related complexes [Mo2(μ-S)μ-S(CH2)nSCC(CO2Me)C(CO2Me)}Cp2] were formed from 1 and ethylene or propylene trithiocarbonate, SCS2(CH2)n (n = 2 or 3). In contrast, the reaction of 1 with acyclic dialkyl trithiocarbonates SC(SR)2 afforded complexes containing sulfido (μ-S), thiolate (μ-SR) and CSR units, but surprisingly the last of these occupies the central position in the dimetalla-allyl ligand rather than the terminus. The crystal structure of one of these compounds, [Mo2(μ-S)(μ-SMe)μ-C(CO2Me)C(SMe)C(CO2Me)}Cp2], has been determined. Based on these observations, a possible mechanism for the reaction is suggested.

  二钼炔基配合物 [Mo2(μ-R1CCR2)(CO)4Cp2] 1 (Cp = η-C5H5; R1 = R2 = CO2Me) 与 1,3-二硫杂环戊烯-2-硫酮 SCS2C2R2 (R = CO2Me, SMe 或 SCOPh) 反应，经过复杂的反应过程，包括 CS 键断裂生成 μ-硫脲配体、杂环开环并与炔烃偶联，生成新的化合物 [Mo2(μ-S)(μ-SCR CRSCCR1CR2)Cp2]。其中一种产物 (R = R1 = R2 = CO2Me) 已被结构表征。炔基配合物 2 (R1 = R2 = CO2Et) 和 3 (R1 = R2 = Ph) 在处理后生成了类似产物，而 4，即不对称炔烃 PhCCCO2Et 的二钼配合物，生成两种区域异构体，这两种异构体也已被结构表征。相关配合物 [Mo2(μ-S)μ-S(CH2)nSCC(CO2Me)C(CO2Me)}Cp2] 是由 1 和乙烯或丙烯三硫代碳酸酯 SCS2(CH2)n (n = 2 或 3) 形成的。相反，1 与无环二烷基三硫代碳酸酯 SC(SR)2 的反应生成了含硫脲 (μ-S)、硫醇盐 (μ-SR) 和 CSR 单位的配合物，但令人惊讶的是，最后一个单位占据了二金属烯丙基配体的中心位置而不是末端。这些化合物中的一种，[Mo2(μ-S)(μ-SMe)μ-C(CO2Me)C(SMe)C(CO2Me)}Cp2]，的晶体结构已被测定。基于这些观察结果，提出了该反应的可能机制。
• Sequential Construction of One, Two, or Three Dithiolene Ligands from Alkynes and Sulfur in Dinuclear Cyclopentadienyl Molybdenum Complexes
  作者：Harry Adams、Matthew N. Bancroft、Michael J. Morris、Andrea E. Riddiough

  DOI：10.1021/ic901243m

  日期：2009.10.5

  ligands from alkynes and elemental sulfur at a dimetal center. The dimolybdenum μ-alkyne complexes [Mo2(μ-R1C≡CR2)(CO)4Cp2] (1a−c; Cp = η-C5H5, R1 = R2 = H, CO2Me; R1 = H, R2 = CO2Me) undergo oxidative decarbonylation on reaction with elemental sulfur in refluxing toluene to give good to excellent yields of the terminal dithiolene complexes [Mo2(S)(μ-S)2(SCR1═CR2S)Cp2] (2a−c). Further reaction of these

  本文描述了在双金属中心最多由三个炔烃和元素硫中的三个二硫代烯配体的顺序组装。所述dimolybdenumμ-炔配合物[沫2（μ-R 1 C≡CR 2）（CO）4的Cp 2 ]（1A - C ^ ; CP =η-C 5 H ^ 5，R 1 = R 2 = H，CO 2 Me； R 1 = H，R 2 = CO 2 Me）在回流的甲苯中与元素硫反应时经历氧化脱羰作用，从而使端基二硫代戊二烯配合物[Mo 2（S）（μ-S）2（SCR 1 = CR 2 S）的Cp 2 ]（2A - Ç）。用1个当量的R炔这些复合物的进一步反应3 C≡CR 4（R 3 = R 4 = H，CO 2 ; R我3 = H，R 4 = CO 2之后，进行氧化与元素硫产生Me）的双（二硫）络合物[沫2（μ-S）2（SCR 1 = CR 2 S）（SCR 3 = CR 4 S）的Cp 2 ]（图4a - d）。两个例子，[Mo
• Two versatile new routes to dinuclear molybdenum dithiolene complexes
  作者：Andrew Abbott、Matthew N. Bancroft、Michael J. Morris、Andrew Abbott、Graeme Hogarth、Simon P. Redmond

  DOI：10.1039/a707958c

  日期：——

  Two routes to the dithiolene complexes [Mo2S(µ-S)2(SCR1CR2S)(η-C5H5)2] starting from the complexes [Mo2(µ-alkyne)(CO)4(η-C5H5)2] are described; in one case the dithiolene ligand is derived from the alkyne, and in the other from a 1,3-dithiole-2-thione reagent.

  本文描述了从[Mo2(µ-炔烃)(CO)4(η-C5H5)2]到二硫杂萘配合物[Mo2S(µ-S)2(SCR1CR2S)(η-C5H5)2]的两种途径；其中一种情况是二硫杂萘配体来自炔烃，另一种情况是二硫杂萘配体来自1,3-二硫杂萘-2-硫酮试剂。
• Alkyne scission in cobalt–molybdenum clusters: synthesis and structures of hexa- and heptanuclear alkylidyne clusters with unusual architectures
  作者：Harry Adams、Laurence V. Y. Guio、Michael J. Morris、Sharon E. Spey

  DOI：10.1039/b204326m

  日期：——

  )4(CO)4Cp2], two clusters in which the alkyne ligand has been cleaved: hexanuclear [Co4Mo2(μ4-CR)2(μ-CO)2(CO)8Cp2] (2) and heptanuclear [Co5Mo2(μ4-CR)(μ5-C)(CO)12Cp2] (3), both of which have been shown by X-ray diffraction to contain unusual edge-sharing bitetrahedral metal frameworks. An analogue of the latter, [Co5Mo2(μ4-CH)(μ5-C)(CO)12Cp2] (8), was obtained from a similar reaction with R = H, but

  加热[沫2（μ-RC CR）（CO）4的Cp 2 ]（R = CO 2我; CP =η-C 5 H ^ 5）与过量的八羰基二钴得到的，除了所期望的产物[CO 2沫2（μ 4 -C 2 - [R 2）（μ-CO）4（CO）4的Cp 2 ]，两个集群，其中所述配体炔已经裂解：六核[CO 4沫2（μ 4 -CR）2（ μ-CO）2（CO）8 Cp 2 ]（2）和heptanuclear [CO 5沫2（μ 4 -CR）（μ 5 -C）（CO）12的Cp 2 ]（3），这两者已显示通过X射线衍射到含有不寻常的边缘共享bitetrahedral金属框架。后者的类似物，[CO 5沫2（μ 4 -CH）（μ 5 -C）（CO）12的Cp 2 ]（8），从用R = H类似的反应得到的，但没有对应的2可能是孤立的。用CO处理3得到三核簇[Co 2 Mo（μ3 -CCH 2 CO 2 Me）（CO） 8 Cp]（