trans-4-tert-butyl-2-methylcyclohexanone oxime | 66575-31-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: trans-4-tert-butyl-2-methylcyclohexanone oxime
• 英文别名: N-[(2S,4R)-4-tert-Butyl-2-methylcyclohexylidene]hydroxylamine；N-[(2S,4R)-4-tert-butyl-2-methylcyclohexylidene]hydroxylamine
• CAS: 66575-31-3
• 化学式: C₁₁H₂₁NO
• 分子量: 183.294
• InChiKey: KGNWAVWKBRIBQA-DTWKUNHWSA-N

物化性质

• 沸点：
  267.9±9.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  cis-α-chloro-4-tert-butylcyclohexanone oxime 、 甲基锂 在 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以71%的产率得到trans-4-tert-butyl-2-methylcyclohexanone oxime
  参考文献：
  名称：

  Stereochemical investigation of conjugate additions of carbon- and heteronucleophiles to ring-substituted nitrosocyclohexenes

  摘要：

  Intermolecular Michael-type conjugate additions of some in situ-generated ring-substituted nitrosocyclohexenes with both carbon- and heteronucleophiles have been found to be highly stereoselective, leading predominantly (or exclusively) to products resulting from axial attack on a half-chair conformation of the nitrosoalkene substrate. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.054

文献信息

• Stereochemical investigation of conjugate additions of carbon- and heteronucleophiles to ring-substituted nitrosocyclohexenes
  作者：Ritobroto Sengupta、Jason A. Witek、Steven M. Weinreb

  DOI：10.1016/j.tet.2011.08.054

  日期：2011.10

  Intermolecular Michael-type conjugate additions of some in situ-generated ring-substituted nitrosocyclohexenes with both carbon- and heteronucleophiles have been found to be highly stereoselective, leading predominantly (or exclusively) to products resulting from axial attack on a half-chair conformation of the nitrosoalkene substrate. (C) 2011 Elsevier Ltd. All rights reserved.