fac-tricarbonyl(CH3CN)3chromium | 80695-83-6

• 英文名称: fac-tricarbonyl(CH3CN)3chromium
• 英文别名: fac-[Cr(CO)4(CNMe)2]；Chromium, tricarbonyltris(isocyanomethane)-
• CAS: 80695-83-6；31470-94-7；80695-82-5
• 化学式: C₉H₉CrN₃O₃
• 分子量: 259.185
• InChiKey: XMGWAKUUJYIATQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  fac-tricarbonyl(CH3CN)3chromium 以 甲苯 为溶剂， 生成 mer-[Cr(CO)4(CNMe)2]
  参考文献：
  名称：

  Kinetics and mechanism of ligand substitution in [Cr(π-ligand)(CO)₃] complexes (ligand = naphthalene, pyrene, thiophene, 2,6-dimethylpyridine, or cycloheptatriene) and of fac/mer isomerization in [M(CO)₃L₃](M = Cr, Mo or W; L = phosphite, phosphine or isocyanide)

  摘要：

  Kinetic studies of the reaction [Cr(pi-ligand)(CO)(3)] + 3L --> [Cr(CO)(3)L(3)] + pi-ligand revealed a second-order rate law with the pi-ligand lability decreasing in the order naphthalene > thiophene > cycloheptatriene > 2,5-dimethylpyridine. In terms of the entering ligand, the rates increased in the order PrCN < P(OMe)(3) < PBu(3). Rates of intramolecular exchange in the [M(CO)(6-x){P(OMe)(3)}(x)] series increased in the order x = 3 < 1 < 2 and M = Mo < W < Cr. These results are consistent with molecular modelling of the trigonal twist pathway for [Cr(CO)(6-x)(PR(3))(x)] complexes (x = 1-3, R = H or Me).

  DOI：

  10.1039/dt9960003959
• 作为产物：
  描述：

  mer-[Cr(CO)4(CNMe)2] 以 萘烷 为溶剂， 生成 fac-tricarbonyl(CH3CN)3chromium
  参考文献：
  名称：

  Kinetics and mechanism of ligand substitution in [Cr(π-ligand)(CO)₃] complexes (ligand = naphthalene, pyrene, thiophene, 2,6-dimethylpyridine, or cycloheptatriene) and of fac/mer isomerization in [M(CO)₃L₃](M = Cr, Mo or W; L = phosphite, phosphine or isocyanide)

  摘要：

  Kinetic studies of the reaction [Cr(pi-ligand)(CO)(3)] + 3L --> [Cr(CO)(3)L(3)] + pi-ligand revealed a second-order rate law with the pi-ligand lability decreasing in the order naphthalene > thiophene > cycloheptatriene > 2,5-dimethylpyridine. In terms of the entering ligand, the rates increased in the order PrCN < P(OMe)(3) < PBu(3). Rates of intramolecular exchange in the [M(CO)(6-x){P(OMe)(3)}(x)] series increased in the order x = 3 < 1 < 2 and M = Mo < W < Cr. These results are consistent with molecular modelling of the trigonal twist pathway for [Cr(CO)(6-x)(PR(3))(x)] complexes (x = 1-3, R = H or Me).

  DOI：

  10.1039/dt9960003959

文献信息

• Cycloheptatriene and tropylium metal complexes. Part IV. Preparation of 7-exo-substituted tricarbonylcycloheptatrienechromiums
  作者：P. L. Pauson、G. H. Smith、J. H. Valentine

  DOI：10.1039/j39670001057

  日期：——

  The 7-exo-configuration is assigned to all substituted tricarbonylcycloheptatrienechromiums previously prepared by the “normal” reaction of tricarbonyltropyliumchromium salts with anions. Several new examples are described, and displacement of methoxide from tricarbonyl-7-exo-methoxycycloheptatrienechromium is shown to be an advantageous alternative route to these products.

  7-外-构型分配给先前通过三羰基tropylium铬盐与阴离子的“正常”反应制备的所有取代的三羰基环庚三烯铬。描述了几个新的实例，并且表明从三羰基-7-外-甲氧基环庚三烯铬置换甲醇盐是这些产物的有利替代途径。
• Cycloheptatriene and tropylium metal complexes. Part V. 7-endo-Substituted tricarbonylcycloheptatrienechromiums
  作者：P. L. Pauson、G. H. Smith、J. H. Valentine

  DOI：10.1039/j39670001061

  日期：——

  Reaction of 7-substituted cycloheptatrienes with either hexacarbonylchromium or with tricarbonyltripyridine-chromium leads to the corresponding 7-endo-substituted tricarbonylcycloheptatrienechromiums, either exclusively or, in only two of the cases studied, mixed with the exo-isomer. Some new observations on the ring-contraction of such complexes are reported.

  7-取代的环庚烯与六羰基铬或与三羰基三吡啶-铬的反应导致相应的7-内取代的三羰基环庚三烯铬单独地或仅在所研究的两种情况下与外消旋异构体混合。据报道有关这种配合物的环收缩的一些新观察。
• Organometallic chemistry of the transition metals XX. Some reactions of acetonitrile derivatives of molybdenum and chromium carbonyls with olefinic and acetylenic compounds
  作者：R.B. King

  DOI：10.1016/s0022-328x(00)84713-0

  日期：1967.4

  volatile tris(methyl vinyl ketone)molybdenum, (CH3COCHCH2)3Mo, has been isolated in low yield from the reaction between (CH3CN)3Mo(CO)3 and methyl vinyl ketone in hexane solution. Hexafluoro-2-butyne reacts with (CH3CN)3Mo(CO)3 to give white volatile crystalline [(CF3)2C2]3MoNCCH3. Reactions of cyclooctatetraene, 1,3-cyclohexadiene, and other similar olefins with the acetonitrile complexes (CH3CN)3M(CO)3

  黄色，易失性三（甲基乙烯基酮）钼，（CH 3 COCHCH 2）3的Mo，已经在低收率被分离从（CH之间的反应3 CN）3的Mo（CO）3的己烷溶液和甲基乙烯基酮。六氟-2-丁炔与（CH 3 CN）3 Mo（CO）3反应，得到白色挥发性结晶[（CF 3）2 C 2 ] 3 MoNCCH 3。环辛酸酯，1,3-环己二烯和其他类似烯烃与乙腈配合物（CH 3 CN）3 M（CO）3的反应 还描述了（MCr或Mo）。
• Lindner, Ekkehard; Rauleder, Hartwig; Hiller, Wolfgang, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1983, vol. 38, # 4, p. 417 - 425
  作者：Lindner, Ekkehard、Rauleder, Hartwig、Hiller, Wolfgang

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cr: Org.Verb., 1.6.1.4, page 298 - 300
  作者：

  DOI：——

  日期：——