pentacarbonyl(1,1-dichloromethylisocyanide)chromium | 68927-86-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: pentacarbonyl(1,1-dichloromethylisocyanide)chromium
• 英文别名: Carbon monoxide;chromium;dichloro(isocyano)methane；carbon monoxide;chromium;dichloro(isocyano)methane
• CAS: 68927-86-6
• 化学式: C₇HCl₂CrNO₅
• 分子量: 301.991
• InChiKey: KRAGDMWZERJVML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.48
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  pentacarbonyl(1,1-dichloromethylisocyanide)chromium 在 三苯基膦 作用下， 以 乙醇 为溶剂， 生成 triphenylphosphine chromium pentacarbonyl 、 cis-(CO)4Cr(PPh3)2
  参考文献：
  名称：

  Reaktionen am koordinierten Trichlormethylisocyanid

  摘要：

  Cr(CO)5CNCCl3 (3) reacts with phosphane (PPh3, PMe2Ph, PEt3) under aprotic conditions to give the Cr(CO)5-coordinated semiylidic isocyano(phosphoraneylidene)methylphosphoniumchlorides 4, 13. In the presence of (traces of) water, however, mainly (isocyano)methylphosphonium complexes 5, 10, 11 are formed. In a side reaction, 3 is reduced to give Cr(CO)5CNCHCl2 which becomes the main product when the reaction is carried out in alcohol, acetone, or in the presence of a carboxylic acid (e.g. (PhCOOH).

  DOI：

  10.1016/0022-328x(91)80222-6
• 作为产物：
  描述：

  pentacarbonyl(trichloromethyl isocyanide)chromium 在 三苯基膦 作用下， 以 甲醇 为溶剂， 以76%的产率得到pentacarbonyl(1,1-dichloromethylisocyanide)chromium
  参考文献：
  名称：

  Reaktionen am koordinierten Trichlormethylisocyanid

  摘要：

  Cr(CO)5CNCCl3 (3) reacts with phosphane (PPh3, PMe2Ph, PEt3) under aprotic conditions to give the Cr(CO)5-coordinated semiylidic isocyano(phosphoraneylidene)methylphosphoniumchlorides 4, 13. In the presence of (traces of) water, however, mainly (isocyano)methylphosphonium complexes 5, 10, 11 are formed. In a side reaction, 3 is reduced to give Cr(CO)5CNCHCl2 which becomes the main product when the reaction is carried out in alcohol, acetone, or in the presence of a carboxylic acid (e.g. (PhCOOH).

  DOI：

  10.1016/0022-328x(91)80222-6

文献信息

• Fehlhammer, Wolf Peter; Degel, Fritz; Beck, Gerhard, Chemische Berichte, 1987, vol. 120, p. 461 - 470
  作者：Fehlhammer, Wolf Peter、Degel, Fritz、Beck, Gerhard

  DOI：——

  日期：——
• Fehlhammer, Wolf P.; Beck, Gerhard, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 11, p. 1414 - 1420
  作者：Fehlhammer, Wolf P.、Beck, Gerhard

  DOI：——

  日期：——
• Pentacarbonylchromium complexes containing the fluorinated isocyanide ligands H2FCNC and HF2CNC
  作者：Dieter Lentz、Dagmar Preugschat

  DOI：10.1016/0022-328x(92)85046-y

  日期：1992.9

  Pentacarbonyl(fluoromethyl isocyanide)chromium and pentacarbonyl(difluoromethyl isocyanide)chromium have been prepared. The vibrational spectroscopic data for the compounds indicate that these isocyanide ligands have a lower pi-acceptor/sigma-donor ratio than trifluoromethyl isocyanide.
• Beck, Gerhard; Fehlhammer, Wolf P., Angewandte Chemie, 1988, vol. 100, p. 1391 - 1394
  作者：Beck, Gerhard、Fehlhammer, Wolf P.

  DOI：——

  日期：——
• Reaktionen am koordinierten Trichlormethylisocyanid
  作者：Samyoung Ahn、Gerhard Beck、Wolf Peter Fehlmanner

  DOI：10.1016/0022-328x(91)80222-6

  日期：1991.11

  Cr(CO)5CNCCl3 (3) reacts with phosphane (PPh3, PMe2Ph, PEt3) under aprotic conditions to give the Cr(CO)5-coordinated semiylidic isocyano(phosphoraneylidene)methylphosphoniumchlorides 4, 13. In the presence of (traces of) water, however, mainly (isocyano)methylphosphonium complexes 5, 10, 11 are formed. In a side reaction, 3 is reduced to give Cr(CO)5CNCHCl2 which becomes the main product when the reaction is carried out in alcohol, acetone, or in the presence of a carboxylic acid (e.g. (PhCOOH).