| 140677-56-1

• CAS: 140677-56-1
• 化学式: C₁₅H₂₅NO₄P₂W
• 分子量: 529.165
• InChiKey: JJEPIUQNZAFVDR-UHFFFAOYSA-M

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：

  trans,trans-W(CO)2(H)(NO)(PMe3)2 、 2'-羟基苯乙酮 以 甲苯 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  通过过渡金属氢化物还原醛和酮。1.反式，反式-WH（CO）2（NO）（PMe3）2与简单的苯氧基官能化的醛和酮的反应

  摘要：

  The reaction of trans,trans-WH(CO)2(NO)(PMe3)2 (1) with propanal and benzaldehyde yields unstable insertion products. The C=O double bond of salicylaldehyde rapidly inserts into the W-H bond of 1, affording the alkoxide 3a. This compound readily isomerizes to the more stable phenolate 3b. In the presence of excess salicylaldehyde 3a and 3b react further to the isolable tungsten salicylates 3c and 3d, respectively, with liberation of the organic reduction product alpha,2-dihydroxytoluene. Compound 3d crystallizes in the monoclinic space group P2(1)/c with a = 8.863 (3) angstrom, b = 10.849 (3) angstrom, c = 19.939 (6) angstrom, beta = 96.31 (2)-degrees, V = 1905.7 (10) angstrom3, Z = 4, and R = 0.0558 for 3402 observed reflections. In the solid-state structure of 3d the salicylate moiety, acting as an O,O'-bidentate ligand to tungsten, shows some quinoid character. Similarly, 1 reacts with 2 equiv of 2-hydroxyacetophenone, producing 4 and 1-(2-hydroxyphenyl)ethanol. Treating 1 with methyl salicylate affords 5, albeit via a simple acid-base reaction with evolution of H-2. Reaction of 1 with 4-hydroxybenzaldehyde initially yields the insertion product 6a, after which an equilibrium reaction between different tungsten phenolates sets in.

  DOI：

  10.1021/om00042a020