| 40398-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• CAS: 40398-45-6
• 化学式: C₅H₄NO₂*Na
• 分子量: 133.082
• InChiKey: YTIKUKBZSSROOF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.56
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 triphenylantimony dibromide 以 甲醇 、 苯 为溶剂， 以98%的产率得到
  参考文献：
  名称：

  Synthetic, spectroscopic and structural aspects of triphenylantimony(V) complexes with internally functionalized oximes: crystal and molecular structure of [Ph3Sb{ONC(Me)C5H4N-2}2]

  摘要：

  The reaction between Ph3SbBr2 and sodium salt of internally functionalized oximes in 1:2 molar ratio in refluxing anhydrous benzene afforded [Ph3Sb{ON=C(R)Ar}(2)] [R = CH3, Ar = C5H4N-2(1), C4H3S-2(2) C4H3O-2(3); R = H, Ar = C5H4N-2(4), C4H3S-2(5) and C4H3O-2(6)]. Treatment of (1) and (4) with 1 equiv. of Ph3SbBr2 yields the redistribution product [Ph3Sb(Br){ON=C(R)Ar}]. Controlled hydrolysis of (1) and (4) affords a species [Ph3Sb(OH){ON=C(R)Ar}]. All these complexes have been characterized by the elemental analyses, IR and NMR spectroscopic studies and in the case of I by single crystal X-ray diffraction studies. The structure of I features trigonal bipyramidal geometry around the antimony with the axial positions occupied by the two oxygen atoms of the oxime group [O(1)-Sb(1)-O(l)' 172.78(7)degrees] and equatorial positions by the phenyl groups. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(02)01155-5