(pyrrolidyldithiocarbamato)dioxomolybdenum(VI) | 21881-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (pyrrolidyldithiocarbamato)dioxomolybdenum(VI)
• 英文别名: Mo(O)2(pyrrolidinyl dithiolate)2；MoO2(C4H8NCS)2
• CAS: 21881-93-6
• 化学式: C₁₀H₁₆MoN₂O₂S₄
• 分子量: 420.453
• InChiKey: QJXPARMDIDSHOL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.89
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.62
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (pyrrolidyldithiocarbamato)dioxomolybdenum(VI) 在 三苯基膦 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.25h， 生成 oxobis(pyrrolidyldithiocarbamato)molybdenum(IV)
  参考文献：
  名称：

  WO2008/92945

  摘要：

  公开号：
• 作为产物：
  描述：

  sodium molybdate 、 吡咯烷二硫代甲酸铵盐 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 以72%的产率得到(pyrrolidyldithiocarbamato)dioxomolybdenum(VI)
  参考文献：
  名称：

  WO2008/92944

  摘要：

  公开号：

文献信息

• Aminomethylene Complexes of Divalent Tungsten and Molybdenum
  作者：Darren J. Cook、Anthony F. Hill

  DOI：10.1021/om9707073

  日期：1997.12.1

  Convenient routes are reported to aminomethylene complexes of divalent molybdenum and tungsten:  [M(CHNiPr2)(CO)2(S2CA)2] (M = Mo, W; A = NMe2, NEt2, N(CH2)4, OEt).

  据报道，二价钼和钨的氨基亚甲基配合物的合成途径很方便：[M（CHN i Pr 2）（CO）2（S 2 CA）2 ]（M = Mo，W; A = NMe 2，NEt 2，N（CH 2）4，OEt）。
• Substituent effects of cis-dioxobis(dithiocarbamato) molybdenum(VI) on redox properties: redox potentials for one-electron reduction and second-order rate constants for oxygen atom transfer
  作者：Kei Unoura、Akira Yamazaki、Akira Nagasawa、Yoshikiyo Kato、Hiroki Itoh、Hideaki Kudo、Yutaka Fukuda

  DOI：10.1016/s0020-1693(97)05813-1

  日期：1998.3

  The electrochemical properties of a series of cis-dioxobis(dithiocarbamato)molybdenum(VI) complexes [MoO2(RR′dte)2] (RR′dte = N,N-disubstituted dithiocarbamate) and the oxygen atom transfer reactions between [MoO2(RR′dte)2] and PPh3 in 1,2-C2H4Cl2 at 25°C are systematically investigated. A good correlation between logarithmic values of second-order rate constants k1 of the oxygen atom transfer reactions

  一系列顺式-二氧杂双（二硫代氨基甲酸酯）钼（VI）的电化学性质[MoO 2（RR'dte）2 ]（RR'dte = N，N-二取代的二硫代氨基甲酸酯）和[MoO 2之间的氧原子转移反应对25℃下1,2-C 2 H 4 Cl 2中的（RR'dte）2 ]和PPh 3进行了系统研究。氧原子转移反应的二阶速率常数k 1的对数值与[MoO 2 OP 2 RR'dte）2 ] 0的氧化还原电势E °'具有良好的相关性1个耦合观察到在大范围内的ķ 1（0.012至0.61米每秒2）; log k 1的值随着E 0的增加而线性增加。对于[MoO 2（Bz 2 dte）2 / PPh 2 [MoO 2（Ph 2 dte）2 ] / PPh 1和[MoO 2（BzPhdte）2 ] PPh 1系统，可以准确观察到与相关线的偏离。负激活熵（ΔS '= -114 J mol +1 K +1对于[MoO 2（Et
• Elliot, Robyn L.; Kruger, Paul; Murray, Keith S., Australian Journal of Chemistry, 1992, vol. 45, # 5, p. 889 - 896
  作者：Elliot, Robyn L.、Kruger, Paul、Murray, Keith S.、West, Bruce O.

  DOI：——

  日期：——
• Bis(N-pyrrolidinedithiocarbamate)dioxomolybdenum(VI): synthesis, structure and reactivity
  作者：Helena Teruel、Yamila C. Gorrı́n、Larry R. Falvello

  DOI：10.1016/s0020-1693(01)00310-3

  日期：2001.5

  A new dioxodithiocarbamato compound of molybdenum(VI), MoO2(S2CNC4H8)(2) (1), has been prepared and its reactivity towards substituted silanes, R3SiX (for R = Me, and X = Cl, Br, NCS, SO3Cl; R = n-Bu, X = Cl), HClO4 and PPh, has been studied. The structure of 1 was determined by X-ray analysis. The oxygenation capacity of 1 towards tertiary aryl phosphines was evaluated by P-31 NMR spectroscopy, and changes at the oxomolybdenum moiety were monitored by UV-V is spectrophotometry. (C) 2001 Elsevier Science B.V. All rights reserved.
• Spectroscopic investigation of dichloro and hydrazido(2-) derivatives of bis(dithiocarbamato)dioxomolybdenum(VI) compounds. Crystal and molecular structure of bis(diisobutyldithiocarbamato) (N, N-dimethylhydrazido(2-)-N′)oxomolybdenum(VI)
  作者：Anagnostis C. Stergiou、Sophia Bladenopoulou、Chris Tsiamis

  DOI：10.1016/0020-1693(93)03761-x

  日期：1994.3

  The reaction of bis(dithiocarbamato)dioxomolybdenum(VI) compounds, MoO2(S2CNRR')2, with hydrochloric acid yields MoOCl2(S2CNRR')2 in which molybdenum is seven-coordinated. An oxo ligand is also replaced when MoO2(S2CNRR')2 is reacted with N,N-dimethylhydrazine, HNNMe2. The products were characterised and their IR and electronic excitation spectra were measured and analysed. The spectra suggest that in these highly distorted octahedral compounds the N,N-dimethylhydrazido(2-) ligand is cis to the terminal oxo group. This was confirmed by the X-ray structure determination of bis(diisobutyldithiocarbamato)(N,N-dimethylhydrazido(2-)-N')oxomolybdenum(VI) . The unit cell of MoO(NNMe2)(S2CN(i-Bu)2)2 has dimensions a = 19.641(5), b = 10.317(2), c = 17.702(5) angstrom, alpha = gamma = 90, beta = 109.69(2)-degrees, belongs to space group Cc and contains four molecules. Structure solution and refinement based on 344 unique reflections converged at a conventional discrepancy value of 0.038. Comparison with closely related compounds reveals that while alkyl and aryl groups in the hydrazido(2-) ligand have no appreciable effect on the metal-nitrogen bond and the linearity of the Mo-N-N fragment, substituents attached to the dithiocarbamato moieties exert strong influence on the electron distribution of the (N,N-dimethylhydrazido(2-) ligand thus affecting its more of interaction with the molybdenum centre. The O-Mo-N angle of 112.9-degrees is wider than those observed in similar compounds while the N-N distance of 139 pm in the dimethylhydrazido(2-) group is the longest N-N bond encountered in this particular ligand.