1-phenylsulfonyl-3-cyclohexenecarboxylic acid | 847859-16-9

• 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: 1-phenylsulfonyl-3-cyclohexenecarboxylic acid
• 英文别名: 1-(Benzenesulfonyl)cyclohex-3-ene-1-carboxylic acid；1-(benzenesulfonyl)cyclohex-3-ene-1-carboxylic acid
• CAS: 847859-16-9
• 化学式: C₁₃H₁₄O₄S
• 分子量: 266.318
• InChiKey: SHVNGFLUNARJSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-phenylsulfonyl-3-cyclohexenecarboxylic acid 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 以80%的产率得到1-(苯磺酰基)环己烷-1-羧酸
  参考文献：
  名称：

  A structure–taste study of arylsulfonyl(cyclo)alkanecarboxylic acids

  摘要：

  A number of sweeteners contain a sulfonyl group. In our current search for new glucophores several new compounds 14 containing such group were obtained. A series of novel 1-phenylsulfonylcyklohexanecarboxylic acids and 2-arylsulfonylalkanecarboxylic acids was obtained and evaluated for their sweet taste quality. It has been found that methyl substituents are of the key importance for the activity of these compounds. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.10.056
• 作为产物：
  描述：

  苯基乙烯基砜 在 正丁基锂 作用下， 以 乙醚 、 正己烷 、 xylene 为溶剂， 反应 0.5h， 生成 1-phenylsulfonyl-3-cyclohexenecarboxylic acid
  参考文献：
  名称：

  A structure–taste study of arylsulfonyl(cyclo)alkanecarboxylic acids

  摘要：

  A number of sweeteners contain a sulfonyl group. In our current search for new glucophores several new compounds 14 containing such group were obtained. A series of novel 1-phenylsulfonylcyklohexanecarboxylic acids and 2-arylsulfonylalkanecarboxylic acids was obtained and evaluated for their sweet taste quality. It has been found that methyl substituents are of the key importance for the activity of these compounds. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.10.056

文献信息

• A structure–taste study of arylsulfonyl(cyclo)alkanecarboxylic acids
  作者：Violetta Lysiak、Aleksander Ratajczak、Agnieszka Mencel、Krystyna Jarzembek、Jaroslaw Polanski

  DOI：10.1016/j.bmc.2004.10.056

  日期：2005.2

  A number of sweeteners contain a sulfonyl group. In our current search for new glucophores several new compounds 14 containing such group were obtained. A series of novel 1-phenylsulfonylcyklohexanecarboxylic acids and 2-arylsulfonylalkanecarboxylic acids was obtained and evaluated for their sweet taste quality. It has been found that methyl substituents are of the key importance for the activity of these compounds. (C) 2004 Elsevier Ltd. All rights reserved.