3-(4-bromophenylthio)butanoic acid | 226259-83-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-(4-bromophenylthio)butanoic acid
• 英文别名: 3-(4-Bromophenyl)sulfanylbutanoic acid
• CAS: 226259-83-2
• 化学式: C₁₀H₁₁BrO₂S
• 分子量: 275.166
• InChiKey: QFCUWNXYFAZEQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-bromophenylthio)butanoic acid 在 双氧水 、 溶剂黄146 作用下， 以 水 为溶剂， 生成 3-(p-bromophenylsulfonyl)butanoic 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
• 作为产物：
  描述：

  巴豆酸 、 4-溴苯硫酚 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 3-(4-bromophenylthio)butanoic 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

• PYRIDYLPYRROLE DERIVATIVES
  申请人：Sankyo Company Limited

  公开号：EP1031572A1

  公开（公告）日：2000-08-30

  Object: to provide compounds having an inhibitory effect on the production of inflammatory cytokines. Constitution: compounds having general formula (I), pharmacologically acceptable salts thereof or derivatives of the same, wherein A: single bond, oxygen, sulfur, CO, SO, SO2, C(R9)(R10) [R9, R10: H, OH, halogeno, alkyl], N(R11), C=NOR11 [R11: H, alkyl]; D: single bond, C(R12)(R13) [R12, R13: H, OH, halogeno, alkyl]; R1 : optionally substituted pyridyl; R2 : optionally substituted phenyl; R3 : halogeno, alkyl, haloalkyl, alkoxy, haloalkoxy; R4, R5, R6, R7, R8 : H, alkyl; k: 0-3; and m: 1, 2.

  目的：提供对炎症细胞因子的产生具有抑制作用的化合物。构成：具有通式（I）的化合物、其药理学上可接受的盐或其衍生物，其中A：单键、氧、硫、CO、SO、SO2、C(R9)(R10)[R9、R10：H、OH、卤代、烷基]、N(R11)、C=NOR11[R11：H、烷基]；D：单键、C(R12)(R13) [R12、R13：H、OH、卤代物、烷基]；R1：任选取代的吡啶基；R2：任选取代的苯基；R3：卤代物、烷基、卤代烷基、烷氧基、卤代烷氧基；R4、R5、R6、R7、R8：H、烷基；k：0-3；m：1、2。