| 516479-54-2

• CAS: 516479-54-2
• 化学式: C₂H₃N*C₁₀H₁₁MoN₃O₂S
• 分子量: 374.275
• InChiKey: CVPRQLINBDHOST-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

• 作为产物：
  描述：

  烯丙基硫氰酸酯 、 乙腈 、 molybdenum hexacarbonyl 以 乙腈 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  The crystal structure of [Mo(NCS)(CO)2(η3-C3H5)(NCMe)2]·MeCN and the reactions of {Mo(CO)2(η3-C3H5)+} containing species with symmetric alkynes

  摘要：

  In the solid-state [Mo(NCS)(CO)(2)(eta(3) -C3H5)(NCMe)(2)] (.) MeCN (1) contains a pseudo-octahedral arrangement of ligands about molybdenum, with carbonyls and nitriles in the equatorial plane and an N-bonded thiocyanate 3 group trans to the allyl ligand. In refluxing methanol or acetonitrile both 1, and the analogous chloro-complex [MoCl(CO)(2)(eta(3)-C3H5)(NCMe)(2)] (2) catalytically convert PhCdropCPh to a mixture of hexaphenylbenzene and E,E-1,2,3,4-tetraphenylbutadiene. By contrast MeO(2)CCdropCCO(2)Me is not oligomerised. In methanol, complex 2 dimerises 1,4-diphenylbutadiyne to Z,E-1,4,5,8-tetraphenyl-1,7-octa-3,5-diene-1,7-diyne, whereas in the presence of base both the complex and the diyne, react preferentially with the solvent to generate the [Mo-2(CO)(4)(eta(3)- C3H5)(2)(OMe)(3)](-) anion and Z-1,4-diphenyl-3-methoxy-but-3-ene-1-yne, respectively. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01981-2