2-Cyclohex-1-enyl-cyclohexanon-oxim | 37575-86-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Cyclohex-1-enyl-cyclohexanon-oxim
• 英文别名: 2-(1-Cyclohexenyl)-cyclohexanonoxim；2-81-Cyclohexenyl)-cyclohexanon-oxim；2-(cyclohexenyl-1)cyclohexanone oxime；2-cyclohex-1-enyl-cyclohexanone oxime；N-[2-(cyclohexen-1-yl)cyclohexylidene]hydroxylamine
• CAS: 37575-86-3
• 化学式: C₁₂H₁₉NO
• mdl: MFCD00809964
• 分子量: 193.289
• InChiKey: JLYUBVMJQIJNTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Cyclohex-1-enyl-cyclohexanon-oxim 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 2-环己-1-烯基-环己基胺
  参考文献：
  名称：

  Alternative practical syntheses of spiro(poly)cyclic imino thio- and selenoethers

  摘要：

  DOI：

  10.1021/jo00255a035

文献信息

• Synthesis and Structure of Tetraphenylantimony Oximates Ph₄SbON=CRR  (CRR′ = C₆H₉–C₆H₉-2 and R = Ph, R′ = C(O)Ph)
  作者：V. V. Sharutin、O. V. Molokova、O. K. Sharutina、T. I. Akimova、A. V. Gerasimenko、M. A. Pushilin

  DOI：10.1023/b:ruco.0000037435.99654.0a

  日期：2004.8

  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.
• Alternative practical syntheses of spiro(poly)cyclic imino thio- and selenoethers
  作者：Christophe Bochu、Axel Couture、Pierre Grandclaudon

  DOI：10.1021/jo00255a035

  日期：1988.9

表征谱图