tetraphenylantimony 2-(cyclohexenyl-1)cyclohexanone oximate | 809285-89-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tetraphenylantimony 2-(cyclohexenyl-1)cyclohexanone oximate
• CAS: 809285-89-0
• 化学式: C₃₆H₃₈NOSb
• 分子量: 622.454
• InChiKey: XPEAEMSJAGIVDV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.58
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  21.59
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-Cyclohex-1-enyl-cyclohexanon-oxim 、 pentaphenylantimony 以 甲苯 为溶剂， 以99%的产率得到tetraphenylantimony 2-(cyclohexenyl-1)cyclohexanone oximate
  参考文献：
  名称：

  Synthesis and Structure of Tetraphenylantimony Oximates Ph₄SbON=CRR  (CRR′ = C₆H₉–C₆H₉-2 and R = Ph, R′ = C(O)Ph)

  摘要：

  The reaction of pentaphenylantimony and the oxime HON=CRR' taken in 1:1 molar ratio in toluene gave tetraphenylantimony oximates Ph4SbON=CRR' (CRR' = C6H9-C6H9-2 (I) and R = Ph, R'= C(O)Ph (II)). According to X-ray diffraction data, the Sb atoms in I and II have a distorted trigonal-bipyramidal coordination with oximate ligands in the axial positions. The CaxSbO angles are 177.6(1)degrees in I and 176.58(6)degrees in II. The Sb-C bond lengths lie in the ranges of 2.120(4)-2.203(4) Angstrom for I and 2.122(2)-2.181(2) Angstrom for II. The Sb-O bond lengths are 2.120(2) Angstrom (I) and 2.166(1) Angstrom (II). The lengths of the intramolecular (SbN)-N-... contacts are 2.806(3) and 2.918(2) Angstrom in I and II, respectively.

  DOI：

  10.1023/b:ruco.0000037435.99654.0a