(benzonitrile)(pentacarbonyl)tungsten | 19705-90-9

• 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: (benzonitrile)(pentacarbonyl)tungsten
• 英文别名: (benzonitrile)pentacarbonyltungsten；W(CO)5(benzonitrile)
• CAS: 19705-90-9
• 化学式: C₁₂H₅NO₅W
• 分子量: 427.025
• InChiKey: AJONRAXGCBJKEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.43
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  pentacarbonyl(methoxyphenylmethylene)tungsten(0) 以 乙醚 为溶剂， 生成 (benzonitrile)(pentacarbonyl)tungsten
  参考文献：
  名称：

  形式化的氢化氮插入Fischer型卡宾络合物的金属卡宾键中

  摘要：

  DOI：

  10.1021/om00151a028

文献信息

• Mechanisms of organometallic substitution reactions. Part 3.a Kinetics of the reaction of organonitriles with tricarbonyl(cycloheptatriene) complexes of metals in group VI
  作者：Marian Gower、Leon A.P. Kane-Maguire

  DOI：10.1016/s0020-1693(00)95521-x

  日期：1979.1

  Abstract A kinetic study of the displacement of cyclohepta-triene from [(η 6 -C 7 H 8 )M(CO) 3 ] (M = Cr, Mo. W) by benzonitrile shows unusual changes in rate law down the triad. While the chromium complex obeys the second-order rate law Rate = k[complex] [RCN], the molybdenum species follows the third-order law Rate = k[complex] [RCN] 2 . With tungsten kinetic behaviour intermediate between these

  摘要苯甲腈从[（η6 -C 7 H 8）M（CO）3]（M = Cr，Mo. W）置换环庚三烯的动力学研究表明，速率速率规律在三合态下有异常变化。铬配合物遵循二阶律定律Rate = k [络合物] [RCN]，而钼物种遵循三阶律定律Rate = k [络合物] [RCN] 2。对于钨的动力学行为，观察到介于这两个极端之间。这些结果是通过涉及两个苯甲腈亲核试剂通过稳态中间体[（η4 -C 7 H 8）M（CO）3（RCN）逐步攻击的一般机理来合理化的。第三苯甲腈的侵蚀迅速导致产物。[（η6 -C 7 H 8）M（CO）3]（M = Cr，Mo）与邻甲苯腈和1,3,5-三甲基苄腈反应的类似动力学研究给出了更复杂的行为。用铬均匀观察到二阶动力学，但是钼的速率规律从[RCN]0.2 mol dm -3的三阶变化到更高的[RCN]的二阶动力学。在这些反应中，电子因素比空间因素更为重要。
• Stable imine complexes of tungsten carbonyls
  作者：Dorotha Czarkie、Youval Shvo

  DOI：10.1016/0022-328x(85)87069-8

  日期：1985.1

  Ketimine and aldimine complexes of pentacarbonyltungsten(0) were obtained from a reaction of (CO)5W · THF with ketoximes and aldoximes respectively. Pentacarbonylacetaldiminetungsten(0) was isolated in the solid state, while the formaldimine complex was detected in solution.

  五羰基钨（0）的Ketimine和Aldimine配合物分别由（CO）5 W·THF与酮肟和醛肟的反应制得。固态分离出五羰基乙醛亚胺钨（0），而溶液中检测到福尔马明复合物。
• Kinetische und mechanistische untersuchungen von übergangsmetall-komplex-reaktionen XXII. Konkurrenz zwischen dissoziativem und assoziativem mechanismus bei der reaktion von pentacarbonyl(diphenylcarben)wolfram mit nitrilen
  作者：Helmut Fischer、Siegfried Zeuner

  DOI：10.1016/0022-328x(87)80228-0

  日期：1987.6

  The reaction of pentacarbonyl(diphenylcarbene)tungsten, (CO)5WCPh2 (I), with organyl nitriles, RCN (II) (R = C6H4NMe2-p (b), Ph (c), Me (d), But (e)), yields the insertion product (CO)5W[C(R)NCPh2] (III), the nitrile complexes (CO)5WNCR (IV) and cis-(CO)4W(NCR)2 (V) and diphenyl ketene, Ph2CC). The product distribution depends on the type and the concentration of the organyl nitrile II. At contant

  五羰基（diphenylcarbene）钨，（CO）反应5 WCPh 2（I）中，用有机基腈，RCN（II）（R = C 6 H ^ 4 NME 2 - p）（B）中，Ph（C中，Me（d），卜吨（E）），产生了插入产物（CO）5 W [C（R）NCPh 2 ]（III），腈络合物（CO）5 WNCR（IV）和顺式-（CO）4 W（NCR）2（V）和联苯乙烯酮Ph 2CC）。产物分布取决于有机基腈II的类型和浓度。在恒定温度下，随着II浓度的增加，III的产率增加，IV的产率以及二苯乙烯酮的产率降低，并且顺序为IId，IIc，IIb，IIa。当I在13 CO的存在下与IIb反应时，13 CO几乎完全掺入IVb中。
• Transformation of aziridinocarbene complexes of chromium and tungsten into nitrile complexes and olefins
  作者：B. Denise、A. Parlier、H. Rudler

  DOI：10.1016/0022-328x(88)87058-x

  日期：1988.10
• Organic Syntheses via Transition Metal Complexes. 78. Hydrazinolysis of Alkynylcarbene Complexes of Chromium and Tungsten. Formation of Hydrazinocarbene, Imidate, Pyrazolidinylidene, and Nitrile Complexes
  作者：Rudolf Aumann、Beate Jasper、Roland Froehlich

  DOI：10.1021/om00005a048

  日期：1995.5

  Hydrazinolysis of alkynylcarbene complexes (CO)(5)M=C(OEt)C=Ph (1, M = W; 1', M = Cr) with mono- and 1,2-dimethylhydrazine MeHNNHR (2a,b) (R = Me, H) affords three different-type compounds: hydrazinocarbene complexes (CO)(5)M=C(NMe-NHR)C=CPh [(E/Z)-3a,b], imidate complexes (CO)(5)M[MeN=C(OEt)-C=CPh] [(E/Z)-4a], and pyrazolidinylidene complexes 5a,b. Hydrazinolysis of 1/1' with 1,l-dimethylhydrazine or (unsubstituted) hydrazine H(2)NNR(2) (2c,d) (R = Me, H) yields hydrazinocarbene complexes (CO)(5)M=C(NHNR(2))C=CPh [(E/Z)-3c], imidate complexes (CO)(5)M[HN=C(OEt)C=CPh] [(E/Z)-4a], and benzonitrile complexes (CO)(5)M(N=CPh)(8). Hydrazinolysis of 1 with H(2)NNHR (2e,f) (R = COMe, Ph) gives pyrazoles 12e,f as the only products. The product composition of the reactions of 2a-d with 1 is markedly influenced by the reaction temperature. Reaction of 1 with N- and O-methylhydroxylamines (13, 14) affords imidate complexes 4 only. The hydrazinocarbene complexes (E)-3a and (Z)-3c were characterized by X-ray diffraction. Both compounds crystallize in space group P $($) over bar$$ 1 (No. 2): (E)-3a, C16H12N2O5W, cell parameters a = 8.501(2) Angstrom, b = 9.645(2) Angstrom, c = 11.860(2) Angstrom, alpha = 103.56(2)degrees, beta = 95.59(2)degrees; gamma = 111.76(2)degrees, Z = 2, R(1) = 0.043, and wR(2) = 0.083; (Z)-3c, C16H12N2O5W, cell parameters a = 9.380(3) Angstrom, b = 9.685(4) Angstrom, c = 10.804(3) Angstrom, alpha = 84.77(5)degrees, beta = 80.74(3)degrees, gamma = 66.47(3)degrees, Z = 2, R(1) = 0.036, and wR(2) = 0.086.