[1-(Methanesulfonyl)piperidin-3-yl](2-methylphenyl)methanone | 922504-16-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [1-(Methanesulfonyl)piperidin-3-yl](2-methylphenyl)methanone
• 英文别名: (2-methylphenyl)-(1-methylsulfonylpiperidin-3-yl)methanone
• CAS: 922504-16-3
• 化学式: C₁₄H₁₉NO₃S
• 分子量: 281.376
• InChiKey: SXSQXFSKYYNVRG-UHFFFAOYSA-N

物化性质

• 沸点：
  432.8±55.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [1-(Methanesulfonyl)piperidin-3-yl](2-methylphenyl)methanone 在 三氟化硼乙醚 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 为溶剂， 反应 5.25h， 生成 3-(1,3-Benzodioxol-5-yl)-3-(2-methylphenyl)-1-methylsulfonylazepan-4-one
  参考文献：
  名称：

  Synthesis of diarylazepan-4-ones

  摘要：

  Synthesis of several 3,3-diarylazepan-4-ones and 5,5-diarylazepan-4-ones has been established starting from two tetrasubstituted olefins, which is derived from commercially available piperidine-3-carboxylic acid ethyl ester and piperidine-4-carboxylic acid ethyl ester. The single isomer with the structural skeleton of 3,3-diarylazepan-4-one and 5,5-diarylazepan-4-one is constructed in two functional group transformations of Grignard addition/dehydration and epoxidation/pinacol rearrangement. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.11.072
• 作为产物：
  描述：

  3-哌啶甲酸乙酯 在 lithium aluminium tetrahydride 、 Celite 、 三乙胺 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 [1-(Methanesulfonyl)piperidin-3-yl](2-methylphenyl)methanone
  参考文献：
  名称：

  Synthesis of diarylazepan-4-ones

  摘要：

  Synthesis of several 3,3-diarylazepan-4-ones and 5,5-diarylazepan-4-ones has been established starting from two tetrasubstituted olefins, which is derived from commercially available piperidine-3-carboxylic acid ethyl ester and piperidine-4-carboxylic acid ethyl ester. The single isomer with the structural skeleton of 3,3-diarylazepan-4-one and 5,5-diarylazepan-4-one is constructed in two functional group transformations of Grignard addition/dehydration and epoxidation/pinacol rearrangement. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.11.072

文献信息

• Synthesis of diarylazepan-4-ones
  作者：Meng-Yang Chang、Yung-Hua Kung、Chih-Chong Ma

  DOI：10.1016/j.tetlet.2006.11.072

  日期：2007.1

  Synthesis of several 3,3-diarylazepan-4-ones and 5,5-diarylazepan-4-ones has been established starting from two tetrasubstituted olefins, which is derived from commercially available piperidine-3-carboxylic acid ethyl ester and piperidine-4-carboxylic acid ethyl ester. The single isomer with the structural skeleton of 3,3-diarylazepan-4-one and 5,5-diarylazepan-4-one is constructed in two functional group transformations of Grignard addition/dehydration and epoxidation/pinacol rearrangement. (c) 2006 Elsevier Ltd. All rights reserved.