3-(Propane-1-sulfonyl)-cyclohexanone | 185408-84-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: 3-(Propane-1-sulfonyl)-cyclohexanone
• 英文别名: Cyclohexanone, 3-(propylsulfonyl)-；3-propylsulfonylcyclohexan-1-one
• CAS: 185408-84-8
• 化学式: C₉H₁₆O₃S
• 分子量: 204.29
• InChiKey: LFGUXMCEHVTZDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-环己烯-1-酮 、 三聚丙烯 在 (dppp)Pd(CH₃CN)2⁽²⁺⁾ 、 二氧化硫 、 氢气 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 生成 3-(Propane-1-sulfonyl)-cyclohexanone 、 3-(Propane-2-sulfonyl)-cyclohexanone
  参考文献：
  名称：

  Synthesis of γ-Oxo Sulfones via Palladium- and Platinum-Catalyzed Hydrosulfination

  摘要：

  DOI：

  10.1021/jo9613996

文献信息

• Hedathiosulfonic acids A and B, novel thiosulfonic acids from the deep-sea urchin Echinocardium cordatum
  作者：Masaki Kita、Masami Watanabe、Noboru Takada、Kiyotake Suenaga、Kaoru Yamada、Daisuke Uemura

  DOI：10.1016/s0040-4020(02)00654-3

  日期：2002.8

  Hedathiosulfonic acids A and B were isolated from the deep-sea urchin Echinocardium cordatum and were determined to be novel 6-undecanethiosulfonic acids by 2D NMR, HRMS, and methylation reaction. The stereostructure of hedathiosulfonic acid A was determined by the analysis of its degradation product, a cyclic beta-hydroxysulfone. Hedathiosulfonic acids exhibited acute toxicity. We carried out various model reactions of the olefinic compounds with thiosulfonic acids and proved that, as is the case with natural products, synthesized thiosulfonic acid possessing a carbon-carbon double bond was converted into beta-hydroxysulfone in the presence of oxygen. (C) 2002 Elsevier Science Ltd, All rights reserved.
• Synthesis of γ-Oxo Sulfones via Palladium- and Platinum-Catalyzed Hydrosulfination
  作者：Wilhelm Keim、Jürgen Herwig、Gerrit Pelzer

  DOI：10.1021/jo9613996

  日期：1997.1.1